GPU-based Green’s function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models

NASA Astrophysics Data System (ADS)

Yang, Yiqun; Urban, Matthew W.; McGough, Robert J.

2018-05-01

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green’s functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green’s function approach are ideally suited for high-performance GPUs.

Atomic collisions in the presence of laser radiation - Time dependence and the asymptotic wave function

NASA Technical Reports Server (NTRS)

Devries, P. L.; George, T. F.

1982-01-01

A time-dependent, wave-packet description of atomic collisions in the presence of laser radiation is extracted from the more conventional time-independent, stationary-state description. This approach resolves certain difficulties of interpretation in the time-independent approach which arise in the case of asymptotic near resonance. In the two-state model investigated, the approach predicts the existence of three spherically scattered waves in this asymptotically near-resonant case.

P- and S-wave Receiver Function Imaging with Scattering Kernels

NASA Astrophysics Data System (ADS)

Hansen, S. M.; Schmandt, B.

2017-12-01

Full waveform inversion provides a flexible approach to the seismic parameter estimation problem and can account for the full physics of wave propagation using numeric simulations. However, this approach requires significant computational resources due to the demanding nature of solving the forward and adjoint problems. This issue is particularly acute for temporary passive-source seismic experiments (e.g. PASSCAL) that have traditionally relied on teleseismic earthquakes as sources resulting in a global scale forward problem. Various approximation strategies have been proposed to reduce the computational burden such as hybrid methods that embed a heterogeneous regional scale model in a 1D global model. In this study, we focus specifically on the problem of scattered wave imaging (migration) using both P- and S-wave receiver function data. The proposed method relies on body-wave scattering kernels that are derived from the adjoint data sensitivity kernels which are typically used for full waveform inversion. The forward problem is approximated using ray theory yielding a computationally efficient imaging algorithm that can resolve dipping and discontinuous velocity interfaces in 3D. From the imaging perspective, this approach is closely related to elastic reverse time migration. An energy stable finite-difference method is used to simulate elastic wave propagation in a 2D hypothetical subduction zone model. The resulting synthetic P- and S-wave receiver function datasets are used to validate the imaging method. The kernel images are compared with those generated by the Generalized Radon Transform (GRT) and Common Conversion Point stacking (CCP) methods. These results demonstrate the potential of the kernel imaging approach to constrain lithospheric structure in complex geologic environments with sufficiently dense recordings of teleseismic data. This is demonstrated using a receiver function dataset from the Central California Seismic Experiment which shows several dipping interfaces related to the tectonic assembly of this region. Figure 1. Scattering kernel examples for three receiver function phases. A) direct P-to-s (Ps), B) direct S-to-p and C) free-surface PP-to-s (PPs).

Analyses of Third Order Bose-Einstein Correlation by Means of Coulomb Wave Function

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

Biyajima, Minoru; Mizoguchi, Takuya; Suzuki, Naomichi

2006-04-11

In order to include a correction by the Coulomb interaction in Bose-Einstein correlation (BEC), the wave function for the Coulomb scattering were introduced in the quantum optical approach to BEC in the previous work. If we formulate the amplitude written by Coulomb wave functions according to the diagram for BEC in the plane wave formulation, the formula for 3{pi} -BEC becomes simpler than that of our previous work. We re-analyze the raw data of 3{pi} -BEC by NA44 and STAR Collaborations by this formula. Results are compared with the previous ones.

Modeling the Pulse Signal by Wave-Shape Function and Analyzing by Synchrosqueezing Transform

PubMed Central

Wang, Chun-Li; Yang, Yueh-Lung; Wu, Wen-Hsiang; Tsai, Tung-Hu; Chang, Hen-Hong

2016-01-01

We apply the recently developed adaptive non-harmonic model based on the wave-shape function, as well as the time-frequency analysis tool called synchrosqueezing transform (SST) to model and analyze oscillatory physiological signals. To demonstrate how the model and algorithm work, we apply them to study the pulse wave signal. By extracting features called the spectral pulse signature, and based on functional regression, we characterize the hemodynamics from the radial pulse wave signals recorded by the sphygmomanometer. Analysis results suggest the potential of the proposed signal processing approach to extract health-related hemodynamics features. PMID:27304979

Modeling the Pulse Signal by Wave-Shape Function and Analyzing by Synchrosqueezing Transform.

PubMed

Wu, Hau-Tieng; Wu, Han-Kuei; Wang, Chun-Li; Yang, Yueh-Lung; Wu, Wen-Hsiang; Tsai, Tung-Hu; Chang, Hen-Hong

2016-01-01

We apply the recently developed adaptive non-harmonic model based on the wave-shape function, as well as the time-frequency analysis tool called synchrosqueezing transform (SST) to model and analyze oscillatory physiological signals. To demonstrate how the model and algorithm work, we apply them to study the pulse wave signal. By extracting features called the spectral pulse signature, and based on functional regression, we characterize the hemodynamics from the radial pulse wave signals recorded by the sphygmomanometer. Analysis results suggest the potential of the proposed signal processing approach to extract health-related hemodynamics features.

On the Mathematical Modeling of Single and Multiple Scattering of Ultrasonic Guided Waves by Small Scatterers: A Structural Health Monitoring Measurement Model

NASA Astrophysics Data System (ADS)

Strom, Brandon William

In an effort to assist in the paradigm shift from schedule based maintenance to conditioned based maintenance, we derive measurement models to be used within structural health monitoring algorithms. Our models are physics based, and use scattered Lamb waves to detect and quantify pitting corrosion. After covering the basics of Lamb waves and the reciprocity theorem, we develop a technique for the scattered wave solution. The first application is two-dimensional, and is employed in two different ways. The first approach integrates a traction distribution and replaces it by an equivalent force. The second approach is higher order and uses the actual traction distribution. We find that the equivalent force version of the solution technique holds well for small pits at low frequencies. The second application is three-dimensional. The equivalent force caused by the scattered wave of an arbitrary equivalent force is calculated. We obtain functions for the scattered wave displacements as a function of equivalent forces, equivalent forces as a function of incident wave, and scattered wave amplitudes as a function of incident amplitude. The third application uses self-consistency to derive governing equations for the scattered waves due to multiple corrosion pits. We decouple the implicit set of equations and solve explicitly by using a recursive series solution. Alternatively, we solve via an undetermined coefficient method which results in an interaction operator and solution via matrix inversion. The general solution is given for N pits including mode conversion. We show that the two approaches are equivalent, and give a solution for three pits. Various approximations are advanced to simplify the problem while retaining the leading order physics. As a final application, we use the multiple scattering model to investigate resonance of Lamb waves. We begin with a one-dimensional problem and progress to a three-dimensional problem. A directed graph enables interpretation of the interaction operator, and we show that a series solution converges due to loss of energy in the system. We see that there are four causes of resonance and plot the modulation depth as a function of spacing between the pits.

Simulation-Based Approach to Determining Electron Transfer Rates Using Square-Wave Voltammetry.

PubMed

Dauphin-Ducharme, Philippe; Arroyo-Currás, Netzahualcóyotl; Kurnik, Martin; Ortega, Gabriel; Li, Hui; Plaxco, Kevin W

2017-05-09

The efficiency with which square-wave voltammetry differentiates faradic and charging currents makes it a particularly sensitive electroanalytical approach, as evidenced by its ability to measure nanomolar or even picomolar concentrations of electroactive analytes. Because of the relative complexity of the potential sweep it uses, however, the extraction of detailed kinetic and mechanistic information from square-wave data remains challenging. In response, we demonstrate here a numerical approach by which square-wave data can be used to determine electron transfer rates. Specifically, we have developed a numerical approach in which we model the height and the shape of voltammograms collected over a range of square-wave frequencies and amplitudes to simulated voltammograms as functions of the heterogeneous rate constant and the electron transfer coefficient. As validation of the approach, we have used it to determine electron transfer kinetics in both freely diffusing and diffusionless surface-tethered species, obtaining electron transfer kinetics in all cases in good agreement with values derived using non-square-wave methods.

Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

PubMed

Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura

2016-07-12

A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.

Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach.

PubMed

Orms, Natalie; Rehn, Dirk R; Dreuw, Andreas; Krylov, Anna I

2018-02-13

Density-based wave function analysis enables unambiguous comparisons of the electronic structure computed by different methods and removes ambiguity of orbital choices. We use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high- and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such as polyradicals. We show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of the bonding pattern.

Progress on the development of FullWave, a Hot and Cold Plasma Parallel Full Wave Code

NASA Astrophysics Data System (ADS)

Spencer, J. Andrew; Svidzinski, Vladimir; Zhao, Liangji; Kim, Jin-Soo

2017-10-01

FullWave is being developed at FAR-TECH, Inc. to simulate RF waves in hot inhomogeneous magnetized plasmas without making small orbit approximations. FullWave is based on a meshless formulation in configuration space on non-uniform clouds of computational points (CCP) adapted to better resolve plasma resonances, antenna structures and complex boundaries. The linear frequency domain wave equation is formulated using two approaches: for cold plasmas the local cold plasma dielectric tensor is used (resolving resonances by particle collisions), while for hot plasmas the conductivity kernel is calculated. The details of FullWave and some preliminary results will be presented, including: 1) a monitor function based on analytic solutions of the cold-plasma dispersion relation; 2) an adaptive CCP based on the monitor function; 3) construction of the finite differences for approximation of derivatives on adaptive CCP; 4) results of 2-D full wave simulations in the cold plasma model in tokamak geometry using the formulated approach for ECRH, ICRH and Lower Hybrid range of frequencies. Work is supported by the U.S. DOE SBIR program.

Wave-packet continuum-discretization approach to ion-atom collisions including rearrangement: Application to differential ionization in proton-hydrogen scattering

NASA Astrophysics Data System (ADS)

Abdurakhmanov, I. B.; Bailey, J. J.; Kadyrov, A. S.; Bray, I.

2018-03-01

In this work, we develop a wave-packet continuum-discretization approach to ion-atom collisions that includes rearrangement processes. The total scattering wave function is expanded using a two-center basis built from wave-packet pseudostates. The exact three-body Schrödinger equation is converted into coupled-channel differential equations for time-dependent expansion coefficients. In the asymptotic region these time-dependent coefficients represent transition amplitudes for all processes including elastic scattering, excitation, ionization, and electron capture. The wave-packet continuum-discretization approach is ideal for differential ionization studies as it allows one to generate pseudostates with arbitrary energies and distribution. The approach is used to calculate the double differential cross section for ionization in proton collisions with atomic hydrogen. Overall good agreement with experiment is obtained for all considered cases.

New trial wave function for the nuclear cluster structure of nuclei

NASA Astrophysics Data System (ADS)

Zhou, Bo

2018-04-01

A new trial wave function is proposed for nuclear cluster physics, in which an exact solution to the long-standing center-of-mass problem is given. In the new approach, the widths of the single-nucleon Gaussian wave packets and the widths of the relative Gaussian wave functions describing correlations of nucleons or clusters are treated as variables in the explicit intrinsic wave function of the nuclear system. As an example, this new wave function was applied to study the typical {^{20}Ne} (α+{{^{16}}O}) cluster system. By removing exactly the spurious center-of-mass effect in a very simple way, the energy curve of {^{20}Ne} was obtained by variational calculations with the width of the α cluster, the width of the {{^{16}}O} cluster, and the size parameter of the nucleus. These are considered the three crucial variational variables in describing the {^{20}Ne} (α+{{^{16}}O}) cluster system. This shows that the new wave function can be a very interesting new tool for studying many-body and cluster effects in nuclear physics.

Convergent close coupling versus the generalized Sturmian function approach: Wave-function analysis

NASA Astrophysics Data System (ADS)

Ambrosio, M.; Mitnik, D. M.; Gasaneo, G.; Randazzo, J. M.; Kadyrov, A. S.; Fursa, D. V.; Bray, I.

2015-11-01

We compare the physical information contained in the Temkin-Poet (TP) scattering wave function representing electron-impact ionization of hydrogen, calculated by the convergent close-coupling (CCC) and generalized Sturmian function (GSF) methodologies. The idea is to show that the ionization cross section can be extracted from the wave functions themselves. Using two different procedures based on hyperspherical Sturmian functions we show that the transition amplitudes contained in both GSF and CCC scattering functions lead to similar single-differential cross sections. The single-continuum channels were also a subject of the present studies, and we show that the elastic and excitation amplitudes are essentially the same as well.

GW study of topological insulators Bi2Se3, Bi2Te3, and Sb2Te3: Beyond the perturbative one-shot approach

NASA Astrophysics Data System (ADS)

Aguilera, Irene; Friedrich, Christoph; Bihlmayer, Gustav; Blügel, Stefan

2013-07-01

We present GW calculations of the topological insulators Bi2Se3, Bi2Te3, and Sb2Te3 within the all-electron full-potential linearized augmented-plane-wave formalism. Quasiparticle effects produce significant qualitative changes in the band structures of these materials when compared to density functional theory (DFT), especially at the Γ point, where band inversion takes place. There, the widely used perturbative one-shot GW approach can produce unphysical band dispersions, as the quasiparticle wave functions are forced to be identical to the noninteracting single-particle states. We show that a treatment beyond the perturbative approach, which incorporates the off-diagonal GW matrix elements and thus enables many-body hybridization to be effective in the quasiparticle wave functions, is crucial in these cases to describe the characteristics of the band inversion around the Γ point in an appropriate way. In addition, this beyond one-shot GW approach allows us to calculate the values of the Z2 topological invariants and compare them with those previously obtained within DFT.

About probabilistic integration of ill-posed geophysical tomography and logging data: A knowledge discovery approach versus petrophysical transfer function concepts illustrated using cross-borehole radar-, P- and S-wave traveltime tomography in combination with cone penetration and dielectric logging data

NASA Astrophysics Data System (ADS)

Paasche, Hendrik

2018-01-01

Site characterization requires detailed and ideally spatially continuous information about the subsurface. Geophysical tomographic experiments allow for spatially continuous imaging of physical parameter variations, e.g., seismic wave propagation velocities. Such physical parameters are often related to typical geotechnical or hydrological target parameters, e.g. as achieved from 1D direct push or borehole logging. Here, the probabilistic inference of 2D tip resistance, sleeve friction, and relative dielectric permittivity distributions in near-surface sediments is constrained by ill-posed cross-borehole seismic P- and S-wave and radar wave traveltime tomography. In doing so, we follow a discovery science strategy employing a fully data-driven approach capable of accounting for tomographic ambiguity and differences in spatial resolution between the geophysical tomograms and the geotechnical logging data used for calibration. We compare the outcome to results achieved employing classical hypothesis-driven approaches, i.e., deterministic transfer functions derived empirically for the inference of 2D sleeve friction from S-wave velocity tomograms and theoretically for the inference of 2D dielectric permittivity from radar wave velocity tomograms. The data-driven approach offers maximal flexibility in combination with very relaxed considerations about the character of the expected links. This makes it a versatile tool applicable to almost any combination of data sets. However, error propagation may be critical and justify thinking about a hypothesis-driven pre-selection of an optimal database going along with the risk of excluding relevant information from the analyses. Results achieved by transfer function rely on information about the nature of the link and optimal calibration settings drawn as retrospective hypothesis by other authors. Applying such transfer functions at other sites turns them into a priori valid hypothesis, which can, particularly for empirically derived transfer functions, result in poor predictions. However, a mindful utilization and critical evaluation of the consequences of turning a retrospectively drawn hypothesis into an a priori valid hypothesis can also result in good results for inference and prediction problems when using classical transfer function concepts.

Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions

NASA Astrophysics Data System (ADS)

Chen, Zhenhua; Chen, Xun; Wu, Wei

2013-04-01

In this series, the n-body reduced density matrix (n-RDM) approach for nonorthogonal orbitals and their applications to ab initio valence bond (VB) methods are presented. As the first paper of this series, Hamiltonian matrix elements between internally contracted VB wave functions are explicitly provided by means of nonorthogonal orbital based RDM approach. To this end, a more generalized Wick's theorem, called enhanced Wick's theorem, is presented both in arithmetical and in graphical forms, by which the deduction of expressions for the matrix elements between internally contracted VB wave functions is dramatically simplified, and the matrix elements are finally expressed in terms of tensor contractions of electronic integrals and n-RDMs of the reference VB self-consistent field wave function. A string-based algorithm is developed for the purpose of evaluating n-RDMs in an efficient way. Using the techniques presented in this paper, one is able to develop new methods and efficient algorithms for nonorthogonal orbital based many-electron theory much easier than by use of the first quantized formulism.

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

NASA Astrophysics Data System (ADS)

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

2016-08-01

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

Molecular wave function and effective adiabatic potentials calculated by extended multi-configuration time-dependent Hartree-Fock method

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

Kato, Tsuyoshi; Ide, Yoshihiro; Yamanouchi, Kaoru

We first calculate the ground-state molecular wave function of 1D model H{sub 2} molecule by solving the coupled equations of motion formulated in the extended multi-configuration time-dependent Hartree-Fock (MCTDHF) method by the imaginary time propagation. From the comparisons with the results obtained by the Born-Huang (BH) expansion method as well as with the exact wave function, we observe that the memory size required in the extended MCTDHF method is about two orders of magnitude smaller than in the BH expansion method to achieve the same accuracy for the total energy. Second, in order to provide a theoretical means to understandmore » dynamical behavior of the wave function, we propose to define effective adiabatic potential functions and compare them with the conventional adiabatic electronic potentials, although the notion of the adiabatic potentials is not used in the extended MCTDHF approach. From the comparison, we conclude that by calculating the effective potentials we may be able to predict the energy differences among electronic states even for a time-dependent system, e.g., time-dependent excitation energies, which would be difficult to be estimated within the BH expansion approach.« less

Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach

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

Orms, Natalie; Rehn, Dirk; Dreuw, Andreas

Density-based wave function analysis enables unambiguous comparisons of electronic structure computed by different methods and removes ambiguity of orbital choices. Here, we use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such asmore » polyradicals. We also show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of bonding pattern.« less

Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach

DOE PAGES

Orms, Natalie; Rehn, Dirk; Dreuw, Andreas; ...

2017-12-21

Density-based wave function analysis enables unambiguous comparisons of electronic structure computed by different methods and removes ambiguity of orbital choices. Here, we use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such asmore » polyradicals. We also show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of bonding pattern.« less

Ab initio calculation of one-nucleon halo states

NASA Astrophysics Data System (ADS)

Rodkin, D. M.; Tchuvil'sky, Yu M.

2018-02-01

We develop an approach to microscopic and ab initio description of clustered systems, states with halo nucleon and one-nucleon resonances. For these purposes a basis combining ordinary shell-model components and cluster-channel terms is built up. The transformation of clustered wave functions to the uniform Slater-determinant type is performed using the concept of cluster coefficients. The resulting basis of orthonormalized wave functions is used for calculating the eigenvalues and the eigenvectors of Hamiltonians built in the framework of ab initio approaches. Calculations of resonance and halo states of 5He, 9Be and 9B nuclei demonstrate that the approach is workable and labor-saving.

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

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

Dunnington, Benjamin D.; Schmidt, J. R., E-mail: schmidt@chem.wisc.edu

2015-09-14

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

Wave steering effects in anisotropic composite structures: Direct calculation of the energy skew angle through a finite element scheme.

PubMed

Chronopoulos, D

2017-01-01

A systematic expression quantifying the wave energy skewing phenomenon as a function of the mechanical characteristics of a non-isotropic structure is derived in this study. A structure of arbitrary anisotropy, layering and geometric complexity is modelled through Finite Elements (FEs) coupled to a periodic structure wave scheme. A generic approach for efficiently computing the angular sensitivity of the wave slowness for each wave type, direction and frequency is presented. The approach does not involve any finite differentiation scheme and is therefore computationally efficient and not prone to the associated numerical errors. Copyright © 2016 Elsevier B.V. All rights reserved.

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.

Direct Calculation of the Scattering Amplitude Without Partial Wave Decomposition. III; Inclusion of Correlation Effects

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, Aaron

2007-01-01

In the first two papers in this series, we developed a method for studying electron-hydrogen scattering that does not use partial wave analysis. We constructed an ansatz for the wave function in both the static and static exchange approximations and calculated the full scattering amplitude. Here we go beyond the static exchange approximation, and include correlation in the wave function via a modified polarized orbital. This correlation function provides a significant improvement over the static exchange approximation: the resultant elastic scattering amplitudes are in very good agreement with fully converged partial wave calculations for electron-hydrogen scattering. A fully variational modification of this approach is discussed in the conclusion of the article Popular summary of Direct calculation of the scattering amplitude without partial wave expansion. III ....." by J. Shertzer and A. Temkin. In this paper we continue the development of In this paper we continue the development of a new approach to the way in which researchers have traditionally used to calculate the scattering cross section of (low-energy) electrons from atoms. The basic mathematical problem is to solve the Schroedinger Equation (SE) corresponding the above physical process. Traditionally it was always the case that the SE was reduced to a sequence of one-dimensional (ordinary) differential equations - called partial waves which were solved and from the solutions "phase shifts" were extracted, from which the scattering cross section was calculated.

Automated Measurement of P- and S-Wave Differential Times for Imaging Spatial Distributions of Vp/Vs Ratio, with Moving-Window Cross-Correlation Technique

NASA Astrophysics Data System (ADS)

Taira, T.; Kato, A.

2013-12-01

A high-resolution Vp/Vs ratio estimate is one of the key parameters to understand spatial variations of composition and physical state within the Earth. Lin and Shearer (2007, BSSA) recently developed a methodology to obtain local Vp/Vs ratios in individual similar earthquake clusters, based on P- and S-wave differential times. A waveform cross-correlation approach is typically employed to measure those differential times for pairs of seismograms from similar earthquakes clusters, at narrow time windows around the direct P and S waves. This approach effectively collects P- and S-wave differential times and however requires the robust P- and S-wave time windows that are extracted based on either manually or automatically picked P- and S-phases. We present another technique to estimate P- and S-wave differential times by exploiting temporal properties of delayed time as a function of elapsed time on the seismograms with a moving-window cross-correlation analysis (e.g., Snieder, 2002, Phys. Rev. E; Niu et al. 2003, Nature). Our approach is based on the principle that the delayed time for the direct S wave differs from that for the direct P wave. Two seismograms aligned by the direct P waves from a pair of similar earthquakes yield that delayed times become zero around the direct P wave. In contrast, delayed times obtained from time windows including the direct S wave have non-zero value. Our approach, in principle, is capable of measuring both P- and S-wave differential times from single-component seismograms. In an ideal case, the temporal evolution of delayed time becomes a step function with its discontinuity at the onset of the direct S wave. The offset in the resulting step function would be the S-wave differential time, relative to the P-wave differential time as the two waveforms are aligned by the direct P wave. We apply our moving-window cross-correlation technique to the two different data sets collected at: 1) the Wakayama district, Japan and 2) the Geysers geothermal field, California. The both target areas are characterized by earthquake swarms that provide a number of similar events clusters. We use the following automated procedure to systematically analyze the two data sets: 1) the identification of the direct P arrivals by using an Akaike Information Criterion based phase picking algorithm introduced by Zhang and Thurber (2003, BSSA), 2) the waveform alignment by the P-wave with a waveform cross-correlation to obtain P-wave differential time, 3) the moving-time window analysis to estimate the S-differential time. Kato et al. (2010, GRL) have estimated the Vp/Vs ratios for a few similar earthquake clusters from the Wakayama data set, by a conventional approach to obtain differential times. We find that the resulting Vp/Vs ratios from our approach for the same earthquake clusters are comparable with those obtained from Kato et al. (2010, GRL). We show that the moving-window cross-correlation technique effectively measures both P- and S-wave differential times for the seismograms in which the clear P and S phases are not observed. We will show spatial distributions in Vp/Vs ratios in our two target areas.

Modelling Of Anticipated Damage Ratio On Breakwaters Using Fuzzy Logic

NASA Astrophysics Data System (ADS)

Mercan, D. E.; Yagci, O.; Kabdasli, S.

2003-04-01

In breakwater design the determination of armour unit weight is especially important in terms of the structure's life. In a typical experimental breakwater stability study, different wave series composed of different wave heights; wave period and wave steepness characteristics are applied in order to investigate performance the structure. Using a classical approach, a regression equation is generated for damage ratio as a function of characteristic wave height. The parameters wave period and wave steepness are not considered. In this study, differing from the classical approach using a fuzzy logic, a relationship between damage ratio as a function of mean wave period (T_m), wave steepness (H_s/L_m) and significant wave height (H_s) was further generated. The system's inputs were mean wave period (T_m), wave steepness (H_s/L_m) and significant wave height (H_s). For fuzzification all input variables were divided into three fuzzy subsets, their membership functions were defined using method developed by Mandani (Mandani, 1974) and the rules were written. While for defuzzification the centroid method was used. In order to calibrate and test the generated models an experimental study was conducted. The experiments were performed in a wave flume (24 m long, 1.0 m wide and 1.0 m high) using 20 different irregular wave series (P-M spectrum). Throughout the study, the water depth was 0.6 m and the breakwater cross-sectional slope was 1V/2H. In the armour layer, a type of artificial armour unit known as antifer cubes were used. The results of the established fuzzy logic model and regression equation model was compared with experimental data and it was determined that the established fuzzy logic model gave a more accurate prediction of the damage ratio on this type of breakwater. References Mandani, E.H., "Application of Fuzzy Algorithms for Control of Simple Dynamic Plant", Proc. IEE, vol. 121, no. 12, December 1974.

An Alternative Derivation of the Energy Levels of the "Particle on a Ring" System

NASA Astrophysics Data System (ADS)

Vincent, Alan

1996-10-01

All acceptable wave functions must be continuous mathematical functions. This criterion limits the acceptable functions for a particle in a linear 1-dimensional box to sine functions. If, however, the linear box is bent round into a ring, acceptable wave functions are those which are continuous at the 'join'. On this model some acceptable linear functions become unacceptable for the ring and some unacceptable cosine functions become acceptable. This approach can be used to produce a straightforward derivation of the energy levels and wave functions of the particle on a ring. These simple wave mechanical systems can be used as models of linear and cyclic delocalised systems such as conjugated hydrocarbons or the benzene ring. The promotion energy of an electron can then be used to calculate the wavelength of absorption of uv light. The simple model gives results of the correct order of magnitude and shows that, as the chain length increases, the uv maximum moves to longer wavelengths, as found experimentally.

Homogeneous quantum electrodynamic turbulence

NASA Technical Reports Server (NTRS)

Shebalin, John V.

1992-01-01

The electromagnetic field equations and Dirac equations for oppositely charged wave functions are numerically time-integrated using a spatial Fourier method. The numerical approach used, a spectral transform technique, is based on a continuum representation of physical space. The coupled classical field equations contain a dimensionless parameter which sets the strength of the nonlinear interaction (as the parameter increases, interaction volume decreases). For a parameter value of unity, highly nonlinear behavior in the time-evolution of an individual wave function, analogous to ideal fluid turbulence, is observed. In the truncated Fourier representation which is numerically implemented here, the quantum turbulence is homogeneous but anisotropic and manifests itself in the nonlinear evolution of equilibrium modal spatial spectra for the probability density of each particle and also for the electromagnetic energy density. The results show that nonlinearly interacting fermionic wave functions quickly approach a multi-mode, dynamic equilibrium state, and that this state can be determined by numerical means.

Semi-analytical Karhunen-Loeve representation of irregular waves based on the prolate spheroidal wave functions

NASA Astrophysics Data System (ADS)

Lee, Gibbeum; Cho, Yeunwoo

2018-01-01

A new semi-analytical approach is presented to solving the matrix eigenvalue problem or the integral equation in Karhunen-Loeve (K-L) representation of random data such as irregular ocean waves. Instead of direct numerical approach to this matrix eigenvalue problem, which may suffer from the computational inaccuracy for big data, a pair of integral and differential equations are considered, which are related to the so-called prolate spheroidal wave functions (PSWF). First, the PSWF is expressed as a summation of a small number of the analytical Legendre functions. After substituting them into the PSWF differential equation, a much smaller size matrix eigenvalue problem is obtained than the direct numerical K-L matrix eigenvalue problem. By solving this with a minimal numerical effort, the PSWF and the associated eigenvalue of the PSWF differential equation are obtained. Then, the eigenvalue of the PSWF integral equation is analytically expressed by the functional values of the PSWF and the eigenvalues obtained in the PSWF differential equation. Finally, the analytically expressed PSWFs and the eigenvalues in the PWSF integral equation are used to form the kernel matrix in the K-L integral equation for the representation of exemplary wave data such as ordinary irregular waves. It is found that, with the same accuracy, the required memory size of the present method is smaller than that of the direct numerical K-L representation and the computation time of the present method is shorter than that of the semi-analytical method based on the sinusoidal functions.

Riccati parameterized self-similar waves in two-dimensional graded-index waveguide

NASA Astrophysics Data System (ADS)

Kumar De, Kanchan; Goyal, Amit; Raju, Thokala Soloman; Kumar, C. N.; Panigrahi, Prasanta K.

2015-04-01

An analytical method based on gauge-similarity transformation technique has been employed for mapping a (2+1)- dimensional variable coefficient coupled nonlinear Schrödinger equations (vc-CNLSE) with dispersion, nonlinearity and gain to standard NLSE. Under certain functional relations we construct a large family of self-similar waves in the form of bright similaritons, Akhmediev breathers and rogue waves. We report the effect of dispersion on the intensity of the solitary waves. Further, we illustrate the procedure to amplify the intensity of self-similar waves using isospectral Hamiltonian approach. This approach provides an efficient mechanism to generate analytically a wide class of tapering profiles and widths by exploiting the Riccati parameter. Equivalently, it enables one to control efficiently the self-similar wave structures and hence their evolution.

On Correspondence of BRST-BFV, Dirac, and Refined Algebraic Quantizations of Constrained Systems

NASA Astrophysics Data System (ADS)

Shvedov, O. Yu.

2002-11-01

The correspondence between BRST-BFV, Dirac, and refined algebraic (group averaging, projection operator) approaches to quantizing constrained systems is analyzed. For the closed-algebra case, it is shown that the component of the BFV wave function corresponding to maximal (minimal) value of number of ghosts and antighosts in the Schrodinger representation may be viewed as a wave function in the refined algebraic (Dirac) quantization approach. The Giulini-Marolf group averaging formula for the inner product in the refined algebraic quantization approach is obtained from the Batalin-Marnelius prescription for the BRST-BFV inner product, which should be generally modified due to topological problems. The considered prescription for the correspondence of states is observed to be applicable to the open-algebra case. The refined algebraic quantization approach is generalized then to the case of nontrivial structure functions. A simple example is discussed. The correspondence of observables for different quantization methods is also investigated.

The Fermionic Projector, entanglement and the collapse of the wave function

NASA Astrophysics Data System (ADS)

Finster, Felix

2011-07-01

After a brief introduction to the fermionic projector approach, we review how entanglement and second quantized bosonic and fermionic fields can be described in this framework. The constructions are discussed with regard to decoherence phenomena and the measurement problem. We propose a mechanism leading to the collapse of the wave function in the quantum mechanical measurement process.

New approach for T-wave peak detection and T-wave end location in 12-lead paced ECG signals based on a mathematical model.

PubMed

Madeiro, João P V; Nicolson, William B; Cortez, Paulo C; Marques, João A L; Vázquez-Seisdedos, Carlos R; Elangovan, Narmadha; Ng, G Andre; Schlindwein, Fernando S

2013-08-01

This paper presents an innovative approach for T-wave peak detection and subsequent T-wave end location in 12-lead paced ECG signals based on a mathematical model of a skewed Gaussian function. Following the stage of QRS segmentation, we establish search windows using a number of the earliest intervals between each QRS offset and subsequent QRS onset. Then, we compute a template based on a Gaussian-function, modified by a mathematical procedure to insert asymmetry, which models the T-wave. Cross-correlation and an approach based on the computation of Trapezium's area are used to locate, respectively, the peak and end point of each T-wave throughout the whole raw ECG signal. For evaluating purposes, we used a database of high resolution 12-lead paced ECG signals, recorded from patients with ischaemic cardiomyopathy (ICM) in the University Hospitals of Leicester NHS Trust, UK, and the well-known QT database. The average T-wave detection rates, sensitivity and positive predictivity, were both equal to 99.12%, for the first database, and, respectively, equal to 99.32% and 99.47%, for QT database. The average time errors computed for T-wave peak and T-wave end locations were, respectively, -0.38±7.12 ms and -3.70±15.46 ms, for the first database, and 1.40±8.99 ms and 2.83±15.27 ms, for QT database. The results demonstrate the accuracy, consistency and robustness of the proposed method for a wide variety of T-wave morphologies studied. Copyright © 2012 IPEM. Published by Elsevier Ltd. All rights reserved.

Establishing non-Abelian topological order in Gutzwiller-projected Chern insulators via entanglement entropy and modular S-matrix

NASA Astrophysics Data System (ADS)

Zhang, Yi; Vishwanath, Ashvin

2013-04-01

We use entanglement entropy signatures to establish non-Abelian topological order in projected Chern-insulator wave functions. The simplest instance is obtained by Gutzwiller projecting a filled band with Chern number C=2, whose wave function may also be viewed as the square of the Slater determinant of a band insulator. We demonstrate that this wave function is captured by the SU(2)2 Chern-Simons theory coupled to fermions. This is established most persuasively by calculating the modular S-matrix from the candidate ground-state wave functions, following a recent entanglement-entropy-based approach. This directly demonstrates the peculiar non-Abelian braiding statistics of Majorana fermion quasiparticles in this state. We also provide microscopic evidence for the field theoretic generalization, that the Nth power of a Chern number C Slater determinant realizes the topological order of the SU(N)C Chern-Simons theory coupled to fermions, by studying the SU(2)3 (Read-Rezayi-type state) and the SU(3)2 wave functions. An advantage of our projected Chern-insulator wave functions is the relative ease with which physical properties, such as entanglement entropy and modular S-matrix, can be numerically calculated using Monte Carlo techniques.

Performance of wave function and density functional methods for water hydrogen bond spin-spin coupling constants.

PubMed

García de la Vega, J M; Omar, S; San Fabián, J

2017-04-01

Spin-spin coupling constants in water monomer and dimer have been calculated using several wave function and density functional-based methods. CCSD, MCSCF, and SOPPA wave functions methods yield similar results, specially when an additive approach is used with the MCSCF. Several functionals have been used to analyze their performance with the Jacob's ladder and a set of functionals with different HF exchange were tested. Functionals with large HF exchange appropriately predict 1 J O H , 2 J H H and 2h J O O couplings, while 1h J O H is better calculated with functionals that include a reduced fraction of HF exchange. Accurate functionals for 1 J O H and 2 J H H have been tested in a tetramer water model. The hydrogen bond effects on these intramolecular couplings are additive when they are calculated by SOPPA(CCSD) wave function and DFT methods. Graphical Abstract Evaluation of the additive effect of the hydrogen bond on spin-spin coupling constants of water using WF and DFT methods.

Strong Measurements Give a Better Direct Measurement of the Quantum Wave Function.

PubMed

Vallone, Giuseppe; Dequal, Daniele

2016-01-29

Weak measurements have thus far been considered instrumental in the so-called direct measurement of the quantum wave function [4J. S. Lundeen, Nature (London) 474, 188 (2011).]. Here we show that a direct measurement of the wave function can be obtained by using measurements of arbitrary strength. In particular, in the case of strong measurements, i.e., those in which the coupling between the system and the measuring apparatus is maximum, we compared the precision and the accuracy of the two methods, by showing that strong measurements outperform weak measurements in both for arbitrary quantum states in most cases. We also give the exact expression of the difference between the original and reconstructed wave function obtained by the weak measurement approach; this will allow one to define the range of applicability of such a method.

On propagation of axisymmetric waves in pressurized functionally graded elastomeric hollow cylinders

NASA Astrophysics Data System (ADS)

Wu, Bin; Su, Yipin; Liu, Dongying; Chen, Weiqiu; Zhang, Chuanzeng

2018-05-01

Soft materials can be designed with a functionally graded (FG) property for specific applications. Such material inhomogeneity can also be found in many soft biological tissues whose functionality is only partly understood to date. In this paper, we analyze the axisymmetric guided wave propagation in a pressurized FG elastomeric hollow cylinder. The cylinder is subjected to a combined action of axial pre-stretch and pressure difference applied to the inner and outer cylindrical surfaces. We consider both torsional waves and longitudinal waves propagating in the FG cylinder made of incompressible isotropic elastomer, which is characterized by the Mooney-Rivlin strain energy function but with the material parameters varying with the radial coordinate in an affine way. The pressure difference generates an inhomogeneous deformation field in the FG cylinder, which dramatically complicates the superimposed wave problem described by the small-on-large theory. A particularly efficient approach is hence employed which combines the state-space formalism for the incremental wave motion with the approximate laminate or multi-layer technique. Dispersion relations for the two types of axisymmetric guided waves are then derived analytically. The accuracy and convergence of the proposed approach is validated numerically. The effects of the pressure difference, material gradient, and axial pre-stretch on both the torsional and the longitudinal wave propagation characteristics are discussed in detail through numerical examples. It is found that the frequency of axisymmetric waves depends nonlinearly on the pressure difference and the material gradient, and an increase in the material gradient enhances the capability of the pressure difference to adjust the wave behavior in the FG cylinder. This work provides a theoretical guidance for characterizing FG soft materials by in-situ ultrasonic nondestructive evaluation and for designing tunable waveguides via material tailoring along with an adjustment of the pre-stretch and pressure difference.

Self-consistent construction of virialized wave dark matter halos

NASA Astrophysics Data System (ADS)

Lin, Shan-Chang; Schive, Hsi-Yu; Wong, Shing-Kwong; Chiueh, Tzihong

2018-05-01

Wave dark matter (ψ DM ), which satisfies the Schrödinger-Poisson equation, has recently attracted substantial attention as a possible dark matter candidate. Numerical simulations have, in the past, provided a powerful tool to explore this new territory of possibility. Despite their successes in revealing several key features of ψ DM , further progress in simulations is limited, in that cosmological simulations so far can only address formation of halos below ˜2 ×1011 M⊙ and substantially more massive halos have become computationally very challenging to obtain. For this reason, the present work adopts a different approach in assessing massive halos by constructing wave-halo solutions directly from the wave distribution function. This approach bears certain similarities with the analytical construction of the particle-halo (cold dark matter model). Instead of many collisionless particles, one deals with one single wave that has many noninteracting eigenstates. The key ingredient in the wave-halo construction is the distribution function of the wave power, and we use several halos produced by structure formation simulations as templates to determine the wave distribution function. Among different models, we find the fermionic King model presents the best fits and we use it for our wave-halo construction. We have devised an iteration method for constructing the nonlinear halo and demonstrate its stability by three-dimensional simulations. A Milky Way-sized halo has also been constructed, and the inner halo is found to be flatter than the NFW profile. These wave-halos have small-scale interferences both in space and time producing time-dependent granules. While the spatial scale of granules varies little, the correlation time is found to increase with radius by 1 order of magnitude across the halo.

Extension of the HAL QCD approach to inelastic and multi-particle scatterings in lattice QCD

NASA Astrophysics Data System (ADS)

Aoki, S.

We extend the HAL QCD approach, with which potentials between two hadrons can be obtained in QCD at energy below inelastic thresholds, to inelastic and multi-particle scatterings. We first derive asymptotic behaviors of the Nambu-Bethe-Salpeter (NBS) wave function at large space separations for systems with more than 2 particles, in terms of the one-shell $T$-matrix consrainted by the unitarity of quantum field theories. We show that its asymptotic behavior contains phase shifts and mixing angles of $n$ particle scatterings. This property is one of the essential ingredients of the HAL QCD scheme to define "potential" from the NBS wave function in quantum field theories such as QCD. We next construct energy independent but non-local potentials above inelastic thresholds, in terms of these NBS wave functions. We demonstrate an existence of energy-independent coupled channel potentials with a non-relativistic approximation, where momenta of all particles are small compared with their own masses. Combining these two results, we can employ the HAL QCD approach also to investigate inelastic and multi-particle scatterings.

Excitation variance matching with limited configuration interaction expansions in variational Monte Carlo

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

Robinson, Paul J.; Pineda Flores, Sergio D.; Neuscamman, Eric

In the regime where traditional approaches to electronic structure cannot afford to achieve accurate energy differences via exhaustive wave function flexibility, rigorous approaches to balancing different states’ accuracies become desirable. As a direct measure of a wave function’s accuracy, the energy variance offers one route to achieving such a balance. Here, we develop and test a variance matching approach for predicting excitation energies within the context of variational Monte Carlo and selective configuration interaction. In a series of tests on small but difficult molecules, we demonstrate that the approach it is effective at delivering accurate excitation energies when the wavemore » function is far from the exhaustive flexibility limit. Results in C3, where we combine this approach with variational Monte Carlo orbital optimization, are especially encouraging.« less

Excitation variance matching with limited configuration interaction expansions in variational Monte Carlo

DOE PAGES

Robinson, Paul J.; Pineda Flores, Sergio D.; Neuscamman, Eric

2017-10-28

In the regime where traditional approaches to electronic structure cannot afford to achieve accurate energy differences via exhaustive wave function flexibility, rigorous approaches to balancing different states’ accuracies become desirable. As a direct measure of a wave function’s accuracy, the energy variance offers one route to achieving such a balance. Here, we develop and test a variance matching approach for predicting excitation energies within the context of variational Monte Carlo and selective configuration interaction. In a series of tests on small but difficult molecules, we demonstrate that the approach it is effective at delivering accurate excitation energies when the wavemore » function is far from the exhaustive flexibility limit. Results in C3, where we combine this approach with variational Monte Carlo orbital optimization, are especially encouraging.« less

A density difference based analysis of orbital-dependent exchange-correlation functionals

NASA Astrophysics Data System (ADS)

Grabowski, Ireneusz; Teale, Andrew M.; Fabiano, Eduardo; Śmiga, Szymon; Buksztel, Adam; Della Sala, Fabio

2014-03-01

We present a density difference based analysis for a range of orbital-dependent Kohn-Sham functionals. Results for atoms, some members of the neon isoelectronic series and small molecules are reported and compared with ab initio wave function calculations. Particular attention is paid to the quality of approximations to the exchange-only optimised effective potential (OEP) approach: we consider both the localised Hartree-Fock as well as the Krieger-Li-Iafrate methods. Analysis of density differences at the exchange-only level reveals the impact of the approximations on the resulting electronic densities. These differences are further quantified in terms of the ground state energies, frontier orbital energy differences and highest occupied orbital energies obtained. At the correlated level, an OEP approach based on a perturbative second-order correlation energy expression is shown to deliver results comparable with those from traditional wave function approaches, making it suitable for use as a benchmark against which to compare standard density functional approximations.

Relationship between the Amplitude and Phase of a Signal Scattered by a Point-Like Acoustic Inhomogeneity

NASA Astrophysics Data System (ADS)

Burov, V. A.; Morozov, S. A.

2001-11-01

Wave scattering by a point-like inhomogeneity, i.e., a strong inhomogeneity with infinitesimal dimensions, is described. This type of inhomogeneity model is used in investigating the point-spread functions of different algorithms and systems. Two approaches are used to derive the rigorous relationship between the amplitude and phase of a signal scattered by a point-like acoustic inhomogeneity. The first approach is based on a Marchenko-type equation. The second approach uses the scattering by a scatterer whose size decreases simultaneously with an increase in its contrast. It is shown that the retarded and advanced waves are scattered differently despite the relationship between the phases of the corresponding scattered waves.

Global excitation of wave phenomena in a dissipative multiconstituent medium. I - Transfer function of the earth's thermosphere. II - Impulsive perturbations in the earth's thermosphere

NASA Technical Reports Server (NTRS)

Mayr, H. G.; Harris, I.; Herrero, F. A.; Varosi, F.

1984-01-01

A transfer function approach is taken in constructing a spectral model of the acoustic-gravity wave response in a multiconstituent thermosphere. The model is then applied to describing the thermospheric response to various sources around the globe. Zonal spherical harmonics serve to model the horizontal variations in propagating waves which, when integrated with respect to height, generate a transfer function for a vertical source distribution in the thermosphere. Four wave components are characterized as resonance phenomena and are associated with magnetic activity and ionospheric disturbances. The waves are either trapped or propagate, the latter becoming significant when possessing frequencies above 3 cycles/day. The energy input is distributed by thermospheric winds. The disturbances decay slowly, mainly due to heat conduction and diffusion. Gravity waves appear abruptly and are connected to a sudden switching on or off of a source. Turn off of a source coincides with a reversal of the local atmospheric circulation.

Numerical Modelling of Tsunami Generated by Deformable Submarine Slides: Parameterisation of Slide Dynamics for Coupling to Tsunami Propagation Model

NASA Astrophysics Data System (ADS)

Smith, R. C.; Collins, G. S.; Hill, J.; Piggott, M. D.; Mouradian, S. L.

2015-12-01

Numerical modelling informs risk assessment of tsunami generated by submarine slides; however, for large-scale slides modelling can be complex and computationally challenging. Many previous numerical studies have approximated slides as rigid blocks that moved according to prescribed motion. However, wave characteristics are strongly dependent on the motion of the slide and previous work has recommended that more accurate representation of slide dynamics is needed. We have used the finite-element, adaptive-mesh CFD model Fluidity, to perform multi-material simulations of deformable submarine slide-generated waves at real world scales for a 2D scenario in the Gulf of Mexico. Our high-resolution approach represents slide dynamics with good accuracy, compared to other numerical simulations of this scenario, but precludes tracking of wave propagation over large distances. To enable efficient modelling of further propagation of the waves, we investigate an approach to extract information about the slide evolution from our multi-material simulations in order to drive a single-layer wave propagation model, also using Fluidity, which is much less computationally expensive. The extracted submarine slide geometry and position as a function of time are parameterised using simple polynomial functions. The polynomial functions are used to inform a prescribed velocity boundary condition in a single-layer simulation, mimicking the effect the submarine slide motion has on the water column. The approach is verified by successful comparison of wave generation in the single-layer model with that recorded in the multi-material, multi-layer simulations. We then extend this approach to 3D for further validation of this methodology (using the Gulf of Mexico scenario proposed by Horrillo et al., 2013) and to consider the effect of lateral spreading. This methodology is then used to simulate a series of hypothetical submarine slide events in the Arctic Ocean (based on evidence of historic slides) and examine the hazard posed to the UK coast.

Timing and Mode of Landscape Response to Glacial-Interglacial Climate Forcing From Fluvial Fill Terrace Sediments: Humahuaca Basin, E Cordillera, NW Argentina

NASA Astrophysics Data System (ADS)

Schildgen, T. F.; Robinson, R. A. J.; Savi, S.; Bookhagen, B.; Tofelde, S.; Strecker, M. R.

2014-12-01

Numerical modelling informs risk assessment of tsunami generated by submarine slides; however, for large-scale slides modelling can be complex and computationally challenging. Many previous numerical studies have approximated slides as rigid blocks that moved according to prescribed motion. However, wave characteristics are strongly dependent on the motion of the slide and previous work has recommended that more accurate representation of slide dynamics is needed. We have used the finite-element, adaptive-mesh CFD model Fluidity, to perform multi-material simulations of deformable submarine slide-generated waves at real world scales for a 2D scenario in the Gulf of Mexico. Our high-resolution approach represents slide dynamics with good accuracy, compared to other numerical simulations of this scenario, but precludes tracking of wave propagation over large distances. To enable efficient modelling of further propagation of the waves, we investigate an approach to extract information about the slide evolution from our multi-material simulations in order to drive a single-layer wave propagation model, also using Fluidity, which is much less computationally expensive. The extracted submarine slide geometry and position as a function of time are parameterised using simple polynomial functions. The polynomial functions are used to inform a prescribed velocity boundary condition in a single-layer simulation, mimicking the effect the submarine slide motion has on the water column. The approach is verified by successful comparison of wave generation in the single-layer model with that recorded in the multi-material, multi-layer simulations. We then extend this approach to 3D for further validation of this methodology (using the Gulf of Mexico scenario proposed by Horrillo et al., 2013) and to consider the effect of lateral spreading. This methodology is then used to simulate a series of hypothetical submarine slide events in the Arctic Ocean (based on evidence of historic slides) and examine the hazard posed to the UK coast.

A numerical wave-optical approach for the simulation of analyzer-based x-ray imaging

NASA Astrophysics Data System (ADS)

Bravin, A.; Mocella, V.; Coan, P.; Astolfo, A.; Ferrero, C.

2007-04-01

An advanced wave-optical approach for simulating a monochromator-analyzer set-up in Bragg geometry with high accuracy is presented. The polychromaticity of the incident wave on the monochromator is accounted for by using a distribution of incoherent point sources along the surface of the crystal. The resulting diffracted amplitude is modified by the sample and can be well represented by a scalar representation of the optical field where the limitations of the usual ‘weak object’ approximation are removed. The subsequent diffraction mechanism on the analyzer is described by the convolution of the incoming wave with the Green-Riemann function of the analyzer. The free space propagation up to the detector position is well reproduced by a classical Fresnel-Kirchhoff integral. The preliminary results of this innovative approach show an excellent agreement with experimental data.

Characterization and prediction of the backscattered form function of an immersed cylindrical shell using hybrid fuzzy clustering and bio-inspired algorithms.

PubMed

Agounad, Said; Aassif, El Houcein; Khandouch, Younes; Maze, Gérard; Décultot, Dominique

2018-02-01

The acoustic scattering of a plane wave by an elastic cylindrical shell is studied. A new approach is developed to predict the form function of an immersed cylindrical shell of the radius ratio b/a ('b' is the inner radius and 'a' is the outer radius). The prediction of the backscattered form function is investigated by a combined approach between fuzzy clustering algorithms and bio-inspired algorithms. Four famous fuzzy clustering algorithms: the fuzzy c-means (FCM), the Gustafson-Kessel algorithm (GK), the fuzzy c-regression model (FCRM) and the Gath-Geva algorithm (GG) are combined with particle swarm optimization and genetic algorithm. The symmetric and antisymmetric circumferential waves A, S 0 , A 1 , S 1 and S 2 are investigated in a reduced frequency (k 1 a) range extends over 0.1

Pulse wave velocity in patients with severe head injury a pilot study.

PubMed

Shahsavari, S; McKelvey, T; Rydenhag, B; Ritzén, C Eriksson

2010-01-01

The study aimed to determine the potential of pulse wave velocity measurements to reflect changes in compliant cerebral arteries/arterioles in head injured patients. The approach utilizes the electrocardiogram and intracranial pressure signals to measure the wave transit time between heart and cranial cavity. Thirty five clinical records of nineteen head injured patients, with different levels of cerebrovascular pressure-reactivity response, were investigated through the study. Results were compared with magnitude of normalized transfer function at the fundamental cardiac frequency. In patients with intact cerebrovascular pressure-reactivity, magnitude of normalized transfer function at the fundamental cardiac component was found to be highly correlated with pulse wave transit time.

Variational approach to studying solitary waves in the nonlinear Schrödinger equation with complex potentials

DOE PAGES

Mertens, Franz G.; Cooper, Fred; Arevalo, Edward; ...

2016-09-15

Here in this paper, we discuss the behavior of solitary wave solutions of the nonlinear Schrödinger equation (NLSE) as they interact with complex potentials, using a four-parameter variational approximation based on a dissipation functional formulation of the dynamics. We concentrate on spatially periodic potentials with the periods of the real and imaginary part being either the same or different. Our results for the time evolution of the collective coordinates of our variational ansatz are in good agreement with direct numerical simulation of the NLSE. We compare our method with a collective coordinate approach of Kominis and give examples where themore » two methods give qualitatively different answers. In our variational approach, we are able to give analytic results for the small oscillation frequency of the solitary wave oscillating parameters which agree with the numerical solution of the collective coordinate equations. We also verify that instabilities set in when the slope dp(t)/dv(t) becomes negative when plotted parametrically as a function of time, where p(t) is the momentum of the solitary wave and v(t) the velocity.« less

Variational approach to studying solitary waves in the nonlinear Schrödinger equation with complex potentials

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

Mertens, Franz G.; Cooper, Fred; Arevalo, Edward

Here in this paper, we discuss the behavior of solitary wave solutions of the nonlinear Schrödinger equation (NLSE) as they interact with complex potentials, using a four-parameter variational approximation based on a dissipation functional formulation of the dynamics. We concentrate on spatially periodic potentials with the periods of the real and imaginary part being either the same or different. Our results for the time evolution of the collective coordinates of our variational ansatz are in good agreement with direct numerical simulation of the NLSE. We compare our method with a collective coordinate approach of Kominis and give examples where themore » two methods give qualitatively different answers. In our variational approach, we are able to give analytic results for the small oscillation frequency of the solitary wave oscillating parameters which agree with the numerical solution of the collective coordinate equations. We also verify that instabilities set in when the slope dp(t)/dv(t) becomes negative when plotted parametrically as a function of time, where p(t) is the momentum of the solitary wave and v(t) the velocity.« less

Periodic wave, breather wave and travelling wave solutions of a (2 + 1)-dimensional B-type Kadomtsev-Petviashvili equation in fluids or plasmas

NASA Astrophysics Data System (ADS)

Hu, Wen-Qiang; Gao, Yi-Tian; Jia, Shu-Liang; Huang, Qian-Min; Lan, Zhong-Zhou

2016-11-01

In this paper, a (2 + 1)-dimensional B-type Kadomtsev-Petviashvili equation is investigated, which has been presented as a model for the shallow water wave in fluids or the electrostatic wave potential in plasmas. By virtue of the binary Bell polynomials, the bilinear form of this equation is obtained. With the aid of the bilinear form, N -soliton solutions are obtained by the Hirota method, periodic wave solutions are constructed via the Riemann theta function, and breather wave solutions are obtained according to the extended homoclinic test approach. Travelling waves are constructed by the polynomial expansion method as well. Then, the relations between soliton solutions and periodic wave solutions are strictly established, which implies the asymptotic behaviors of the periodic waves under a limited procedure. Furthermore, we obtain some new solutions of this equation by the standard extended homoclinic test approach. Finally, we give a generalized form of this equation, and find that similar analytical solutions can be obtained from the generalized equation with arbitrary coefficients.

Adaptive multiconfigurational wave functions.

PubMed

Evangelista, Francesco A

2014-03-28

A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff Λ. These are constructed from a model space containing determinants with energy relative to that of the most stable determinant no greater than Λ. The resulting Λ-CI wave function is adaptive, being able to represent both single-reference and multireference electronic states. We also consider a more compact wave function parameterization (Λ+SD-CI), which is based on a small Λ-CI reference and adds a selection of all the singly and doubly excited determinants generated from it. We report two heuristic algorithms to build Λ-CI wave functions. The first is based on an approximate prescreening of the full configuration interaction space, while the second performs a breadth-first search coupled with pruning. The Λ-CI and Λ+SD-CI approaches are used to compute the dissociation curve of N2 and the potential energy curves for the first three singlet states of C2. Special attention is paid to the issue of energy discontinuities caused by changes in the size of the Λ-CI wave function along the potential energy curve. This problem is shown to be solvable by smoothing the matrix elements of the Hamiltonian. Our last example, involving the Cu2O2(2+) core, illustrates an alternative use of the Λ-CI method: as a tool to both estimate the multireference character of a wave function and to create a compact model space to be used in subsequent high-level multireference coupled cluster computations.

A wave shaping approach of ferrite inductors exhibiting hysteresis using orthogonal field bias

NASA Astrophysics Data System (ADS)

Adly, A. A.; Abd-El-Hafiz, S. K.; Mahgoub, A. O.

2018-05-01

Advances in power electronic systems have considerably contributed to a wide spectrum of applications. In most power electronic circuits, inductors play crucial functions. Utilization of ferrite cores becomes a must when large inductances are required. Nevertheless, this results in an additional complexity due to their hysteresis nature. Recently, an efficient approach for modeling vector hysteresis using tri-node Hopfield neural networks (HNNs) has been introduced. This paper presents a wave shaping approach using hollow cylindrical ferrite core inductors having axial and toroidal windings. The approach investigates the possibility of tuning the inductor permeability to minimize circuit harmonics. Details of the approach are given in the paper.

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

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

Booth, George H., E-mail: george.booth@kcl.ac.uk; Tsatsoulis, Theodoros; Grüneis, Andreas, E-mail: a.grueneis@fkf.mpg.de

2016-08-28

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

Traveling wave solutions of the Boussinesq equation via the new approach of generalized (G'/G)-expansion method.

PubMed

Alam, Md Nur; Akbar, M Ali; Roshid, Harun-Or-

2014-01-01

Exact solutions of nonlinear evolution equations (NLEEs) play a vital role to reveal the internal mechanism of complex physical phenomena. In this work, the exact traveling wave solutions of the Boussinesq equation is studied by using the new generalized (G'/G)-expansion method. Abundant traveling wave solutions with arbitrary parameters are successfully obtained by this method and the wave solutions are expressed in terms of the hyperbolic, trigonometric, and rational functions. It is shown that the new approach of generalized (G'/G)-expansion method is a powerful and concise mathematical tool for solving nonlinear partial differential equations in mathematical physics and engineering. 05.45.Yv, 02.30.Jr, 02.30.Ik.

Multiple Volume Scattering in Random Media and Periodic Structures with Applications in Microwave Remote Sensing and Wave Functional Materials

NASA Astrophysics Data System (ADS)

Tan, Shurun

The objective of my research is two-fold: to study wave scattering phenomena in dense volumetric random media and in periodic wave functional materials. For the first part, the goal is to use the microwave remote sensing technique to monitor water resources and global climate change. Towards this goal, I study the microwave scattering behavior of snow and ice sheet. For snowpack scattering, I have extended the traditional dense media radiative transfer (DMRT) approach to include cyclical corrections that give rise to backscattering enhancements, enabling the theory to model combined active and passive observations of snowpack using the same set of physical parameters. Besides DMRT, a fully coherent approach is also developed by solving Maxwell's equations directly over the entire snowpack including a bottom half space. This revolutionary new approach produces consistent scattering and emission results, and demonstrates backscattering enhancements and coherent layer effects. The birefringence in anisotropic snow layers is also analyzed by numerically solving Maxwell's equation directly. The effects of rapid density fluctuations in polar ice sheet emission in the 0.5˜2.0 GHz spectrum are examined using both fully coherent and partially coherent layered media emission theories that agree with each other and distinct from incoherent approaches. For the second part, the goal is to develop integral equation based methods to solve wave scattering in periodic structures such as photonic crystals and metamaterials that can be used for broadband simulations. Set upon the concept of modal expansion of the periodic Green's function, we have developed the method of broadband Green's function with low wavenumber extraction (BBGFL), where a low wavenumber component is extracted and results a non-singular and fast-converging remaining part with simple wavenumber dependence. We've applied the technique to simulate band diagrams and modal solutions of periodic structures, and to construct broadband Green's functions including periodic scatterers.

Coherent nonlinear optical studies of elementary processes in biological complexes: diagrammatic techniques based on the wave function versus the density matrix

PubMed Central

Biggs, Jason D.; Voll, Judith A.; Mukamel, Shaul

2012-01-01

Two types of diagrammatic approaches for the design and simulation of nonlinear optical experiments (closed-time path loops based on the wave function and double-sided Feynman diagrams for the density matrix) are presented and compared. We give guidelines for the assignment of relevant pathways and provide rules for the interpretation of existing nonlinear experiments in carotenoids. PMID:22753822

Computing the Dynamic Response of a Stratified Elastic Half Space Using Diffuse Field Theory

NASA Astrophysics Data System (ADS)

Sanchez-Sesma, F. J.; Perton, M.; Molina Villegas, J. C.

2015-12-01

The analytical solution for the dynamic response of an elastic half-space for a normal point load at the free surface is due to Lamb (1904). For a tangential force, we have Chaós (1960) formulae. For an arbitrary load at any depth within a stratified elastic half space, the resulting elastic field can be given in the same fashion, by using an integral representation in the radial wavenumber domain. Typically, computations use discrete wave number (DWN) formalism and Fourier analysis allows for solution in space and time domain. Experimentally, these elastic Greeńs functions might be retrieved from ambient vibrations correlations when assuming a diffuse field. In fact, the field could not be totally diffuse and only parts of the Green's functions, associated to surface or body waves, are retrieved. In this communication, we explore the computation of Green functions for a layered media on top of a half-space using a set of equipartitioned elastic plane waves. Our formalism includes body and surface waves (Rayleigh and Love waves). These latter waves correspond to the classical representations in terms of normal modes in the asymptotic case of large separation distance between source and receiver. This approach allows computing Green's functions faster than DWN and separating the surface and body wave contributions in order to better represent Green's function experimentally retrieved.

Electronic wave function and binding effects in M-shell ionization of gold by protons

NASA Astrophysics Data System (ADS)

Pajek, M.; Banaś, D.; Jabłoński, Ł.; Mukoyama, T.

2018-02-01

The measured M-X-ray production cross sections for protons, which are used in the particle induced X-ray emission (PIXE) technique, are systematically underestimated for low impact energies by the ECPSSR and ECUSAR theories. These theories, which are based on the plane wave Born approximation (PWBA) and use the screened hydrogenic wave functions, include corrections for the projectile Coulomb deflection and electron relativistic and binding effects. In the present paper, in order to interpret the observed disagreement at low impact energies, the systematic calculations of the M-shell ionization cross sections for gold were performed using the semiclassical (SCA) and the binary encounter (BEA) approximations in order to identify a role of the electronic wave function and electron binding effects. In these calculations the different wave functions, from nonrelativistic hydrogenic to selfconsistent Dirac-Hartree-Fock, were considered and the binding effect was treated within extreme separated- (SA) and united-atoms (UA) limits. The results are discussed in details and the observed discrepancies are attributed to inadequate description of the electron binding effect at the lowest impact energies for which the molecular approach is required.

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.

3D geometric modeling and simulation of laser propagation through turbulence with plenoptic functions

NASA Astrophysics Data System (ADS)

Wu, Chensheng; Nelson, William; Davis, Christopher C.

2014-10-01

Plenoptic functions are functions that preserve all the necessary light field information of optical events. Theoretical work has demonstrated that geometric based plenoptic functions can serve equally well in the traditional wave propagation equation known as the "scalar stochastic Helmholtz equation". However, in addressing problems of 3D turbulence simulation, the dominant methods using phase screen models have limitations both in explaining the choice of parameters (on the transverse plane) in real-world measurements, and finding proper correlations between neighboring phase screens (the Markov assumption breaks down). Though possible corrections to phase screen models are still promising, the equivalent geometric approach based on plenoptic functions begins to show some advantages. In fact, in these geometric approaches, a continuous wave problem is reduced to discrete trajectories of rays. This allows for convenience in parallel computing and guarantees conservation of energy. Besides the pairwise independence of simulated rays, the assigned refractive index grids can be directly tested by temperature measurements with tiny thermoprobes combined with other parameters such as humidity level and wind speed. Furthermore, without loss of generality one can break the causal chain in phase screen models by defining regional refractive centers to allow rays that are less affected to propagate through directly. As a result, our work shows that the 3D geometric approach serves as an efficient and accurate method in assessing relevant turbulence problems with inputs of several environmental measurements and reasonable guesses (such as Cn 2 levels). This approach will facilitate analysis and possible corrections in lateral wave propagation problems, such as image de-blurring, prediction of laser propagation over long ranges, and improvement of free space optic communication systems. In this paper, the plenoptic function model and relevant parallel algorithm computing will be presented, and its primary results and applications are demonstrated.

Examining the Relations between Executive Function, Math, and Literacy during the Transition to Kindergarten: A Multi-Analytic Approach

ERIC Educational Resources Information Center

Schmitt, Sara A.; Geldhof, G. John; Purpura, David J.; Duncan, Robert; McClelland, Megan M.

2017-01-01

The present study explored the bidirectional and longitudinal associations between executive function (EF) and early academic skills (math and literacy) across 4 waves of measurement during the transition from preschool to kindergarten using 2 complementary analytical approaches: cross-lagged panel modeling and latent growth curve modeling (LCGM).…

Electron impact excitation of highly charged sodium-like ions

NASA Technical Reports Server (NTRS)

Blaha, M.; Davis, J.

1978-01-01

Optical transition probabilities and electron collision strengths for Ca X, Fe XVI, Zn XX, Kr XXVI and Mo XXXII are calculated for transitions between n equal to 3 and n equal to 4 levels. The calculations neglect relativistic effects on the radial functions. A semi-empirical approach provides wave functions of the excited states; a distorted wave function without exchange is employed to obtain the excitation cross sections. The density dependence of the relative intensities of certain emission lines in the sodium isoelectronic sequence is also discussed.

Adiabatic corrections to density functional theory energies and wave functions.

PubMed

Mohallem, José R; Coura, Thiago de O; Diniz, Leonardo G; de Castro, Gustavo; Assafrão, Denise; Heine, Thomas

2008-09-25

The adiabatic finite-nuclear-mass-correction (FNMC) to the electronic energies and wave functions of atoms and molecules is formulated for density-functional theory and implemented in the deMon code. The approach is tested for a series of local and gradient corrected density functionals, using MP2 results and diagonal-Born-Oppenheimer corrections from the literature for comparison. In the evaluation of absolute energy corrections of nonorganic molecules the LDA PZ81 functional works surprisingly better than the others. For organic molecules the GGA BLYP functional has the best performance. FNMC with GGA functionals, mainly BLYP, show a good performance in the evaluation of relative corrections, except for nonorganic molecules containing H atoms. The PW86 functional stands out with the best evaluation of the barrier of linearity of H2O and the isotopic dipole moment of HDO. In general, DFT functionals display an accuracy superior than the common belief and because the corrections are based on a change of the electronic kinetic energy they are here ranked in a new appropriate way. The approach is applied to obtain the adiabatic correction for full atomization of alcanes C(n)H(2n+2), n = 4-10. The barrier of 1 mHartree is approached for adiabatic corrections, justifying its insertion into DFT.

A model for wave propagation in a porous solid saturated by a three-phase fluid.

PubMed

Santos, Juan E; Savioli, Gabriela B

2016-02-01

This paper presents a model to describe the propagation of waves in a poroelastic medium saturated by a three-phase viscous, compressible fluid. Two capillary relations between the three fluid phases are included in the model by introducing Lagrange multipliers in the principle of virtual complementary work. This approach generalizes that of Biot for single-phase fluids and allows to determine the strain energy density, identify the generalized strains and stresses, and derive the constitutive relations of the system. The kinetic and dissipative energy density functions are obtained assuming that the relative flow within the pore space is of laminar type and obeys Darcy's law for three-phase flow in porous media. After deriving the equations of motion, a plane wave analysis predicts the existence of four compressional waves, denoted as type I, II, III, and IV waves, and one shear wave. Numerical examples showing the behavior of all waves as function of saturation and frequency are presented.

Adaptive multiconfigurational wave functions

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

Evangelista, Francesco A., E-mail: francesco.evangelista@emory.edu

2014-03-28

A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff Λ. These are constructed from a model space containing determinants with energy relative to that of the most stable determinant no greater than Λ. The resulting Λ-CI wave function is adaptive, being able to represent both single-reference and multireference electronic states. We also consider a more compact wave function parameterization (Λ+SD-CI), which is based on a small Λ-CI reference and adds a selection of all the singly and doubly excited determinants generated from it. We report two heuristic algorithms to build Λ-CI wave functions.more » The first is based on an approximate prescreening of the full configuration interaction space, while the second performs a breadth-first search coupled with pruning. The Λ-CI and Λ+SD-CI approaches are used to compute the dissociation curve of N{sub 2} and the potential energy curves for the first three singlet states of C{sub 2}. Special attention is paid to the issue of energy discontinuities caused by changes in the size of the Λ-CI wave function along the potential energy curve. This problem is shown to be solvable by smoothing the matrix elements of the Hamiltonian. Our last example, involving the Cu{sub 2}O{sub 2}{sup 2+} core, illustrates an alternative use of the Λ-CI method: as a tool to both estimate the multireference character of a wave function and to create a compact model space to be used in subsequent high-level multireference coupled cluster computations.« less

Hartree-Fock implementation using a Laguerre-based wave function for the ground state and correlation energies of two-electron atoms.

PubMed

King, Andrew W; Baskerville, Adam L; Cox, Hazel

2018-03-13

An implementation of the Hartree-Fock (HF) method using a Laguerre-based wave function is described and used to accurately study the ground state of two-electron atoms in the fixed nucleus approximation, and by comparison with fully correlated (FC) energies, used to determine accurate electron correlation energies. A variational parameter A is included in the wave function and is shown to rapidly increase the convergence of the energy. The one-electron integrals are solved by series solution and an analytical form is found for the two-electron integrals. This methodology is used to produce accurate wave functions, energies and expectation values for the helium isoelectronic sequence, including at low nuclear charge just prior to electron detachment. Additionally, the critical nuclear charge for binding two electrons within the HF approach is calculated and determined to be Z HF C =1.031 177 528.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).

Finally making sense of the double-slit experiment.

PubMed

Aharonov, Yakir; Cohen, Eliahu; Colombo, Fabrizio; Landsberger, Tomer; Sabadini, Irene; Struppa, Daniele C; Tollaksen, Jeff

2017-06-20

Feynman stated that the double-slit experiment "…has in it the heart of quantum mechanics. In reality, it contains the only mystery" and that "nobody can give you a deeper explanation of this phenomenon than I have given; that is, a description of it" [Feynman R, Leighton R, Sands M (1965) The Feynman Lectures on Physics ]. We rise to the challenge with an alternative to the wave function-centered interpretations: instead of a quantum wave passing through both slits, we have a localized particle with nonlocal interactions with the other slit. Key to this explanation is dynamical nonlocality, which naturally appears in the Heisenberg picture as nonlocal equations of motion. This insight led us to develop an approach to quantum mechanics which relies on pre- and postselection, weak measurements, deterministic, and modular variables. We consider those properties of a single particle that are deterministic to be primal. The Heisenberg picture allows us to specify the most complete enumeration of such deterministic properties in contrast to the Schrödinger wave function, which remains an ensemble property. We exercise this approach by analyzing a version of the double-slit experiment augmented with postselection, showing that only it and not the wave function approach can be accommodated within a time-symmetric interpretation, where interference appears even when the particle is localized. Although the Heisenberg and Schrödinger pictures are equivalent formulations, nevertheless, the framework presented here has led to insights, intuitions, and experiments that were missed from the old perspective.

The wave-field from an array of periodic emitters driven simultaneously by a broadband pulse.

PubMed

Dixon, Steve; Hill, Samuel; Fan, Yichao; Rowlands, George

2013-06-01

The use of phased array methods are commonplace in ultrasonic applications, where controlling the variation of the phase between the narrowband emitters in an array facilitates beam steering and focusing of ultrasonic waves. An approach is presented here whereby emitters of alternating polarity arranged in a one-dimensional array are pulsed simultaneously, and have sufficiently wide, controlled bandwidth to emit a two-dimensional wave. This pulsed approach provides a rapid means of simultaneously covering a region of space with a wave-front, whereby any wave that scatters or reflects off a body to a detector will have a distinct arrival time and frequency. This is a general wave phenomenon with a potential application in radar, sonar, and ultrasound. The key result is that one can obtain a smooth, continuous wave-front emitted from the array, over a large solid angle, whose frequency varies as a function of angle to the array. Analytic and finite element models created to describe this phenomenon have been validated with experimental results using ultrasonic waves in metal samples.

Estimating material viscoelastic properties based on surface wave measurements: A comparison of techniques and modeling assumptions

PubMed Central

Royston, Thomas J.; Dai, Zoujun; Chaunsali, Rajesh; Liu, Yifei; Peng, Ying; Magin, Richard L.

2011-01-01

Previous studies of the first author and others have focused on low audible frequency (<1 kHz) shear and surface wave motion in and on a viscoelastic material comprised of or representative of soft biological tissue. A specific case considered has been surface (Rayleigh) wave motion caused by a circular disk located on the surface and oscillating normal to it. Different approaches to identifying the type and coefficients of a viscoelastic model of the material based on these measurements have been proposed. One approach has been to optimize coefficients in an assumed viscoelastic model type to match measurements of the frequency-dependent Rayleigh wave speed. Another approach has been to optimize coefficients in an assumed viscoelastic model type to match the complex-valued frequency response function (FRF) between the excitation location and points at known radial distances from it. In the present article, the relative merits of these approaches are explored theoretically, computationally, and experimentally. It is concluded that matching the complex-valued FRF may provide a better estimate of the viscoelastic model type and parameter values; though, as the studies herein show, there are inherent limitations to identifying viscoelastic properties based on surface wave measurements. PMID:22225067

Kinetic energy partition method applied to ground state helium-like atoms.

PubMed

Chen, Yu-Hsin; Chao, Sheng D

2017-03-28

We have used the recently developed kinetic energy partition (KEP) method to solve the quantum eigenvalue problems for helium-like atoms and obtain precise ground state energies and wave-functions. The key to treating properly the electron-electron (repulsive) Coulomb potential energies for the KEP method to be applied is to introduce a "negative mass" term into the partitioned kinetic energy. A Hartree-like product wave-function from the subsystem wave-functions is used to form the initial trial function, and the variational search for the optimized adiabatic parameters leads to a precise ground state energy. This new approach sheds new light on the all-important problem of solving many-electron Schrödinger equations and hopefully opens a new way to predictive quantum chemistry. The results presented here give very promising evidence that an effective one-electron model can be used to represent a many-electron system, in the spirit of density functional theory.

Absolute Definition of Phase Shift in the Elastic Scattering of a Particle from Compound Systems

NASA Technical Reports Server (NTRS)

Temkin, A.

1961-01-01

The projection of the target wave function on the total wave function of a scattered particle interacting with the target system is used to define an absolute phase shift including any multiples of pi. With this definition of the absolute phase shift, one can prove rigorously in the limit of zero energy for s-wave electrons scattered from atomic hydrogen that the triplet phase shift must approach a nonzero multiple of pi. One can further show that at least one pi of this phase shift is not connected with the existence of a bound state of the H- ion.

14 CFR 171.261 - Localizer performance requirements.

Code of Federal Regulations, 2010 CFR

2010-01-01

... Hz and 150 Hz wave form, the modulation tones must be phase-locked so that within the half course sector, the demodulated 90 Hz and 150 Hz wave forms pass through zero in the same direction within 20... runway and approach direction, on the same radio frequency carrier, as used for the localizer function...

Metallic stereostructured layer: An approach for broadband polarization state manipulation

NASA Astrophysics Data System (ADS)

Xiong, Xiang; Hu, Yuan-Sheng; Jiang, Shang-Chi; Hu, Yu-Hui; Fan, Ren-Hao; Ma, Guo-Bin; Shu, Da-Jun; Peng, Ru-Wen; Wang, Mu

2014-11-01

In this letter, we report a full-metallic broadband wave plate assembled by standing metallic L-shaped stereostructures (LSSs). We show that with an array of LSSs, high polarization conversion ratio is achieved within a broad frequency band. Moreover, by rotating the orientation of the array of LSSs, the electric components of the reflection beam in two orthogonal directions and their phase difference can be independently tuned. In this way, all the polarization states on the Poincaré sphere can be realized. As examples, the functionalities of a quarter wave plate and a half wave plate are experimentally demonstrated with both reflection spectra and focal-plane-array imaging. Our designing provides a unique approach in realizing the broadband wave plate to manipulate the polarization state of light.

Theoretical derivation of laser-dressed atomic states by using a fractal space

NASA Astrophysics Data System (ADS)

Duchateau, Guillaume

2018-05-01

The derivation of approximate wave functions for an electron submitted to both a Coulomb and a time-dependent laser electric fields, the so-called Coulomb-Volkov (CV) state, is addressed. Despite its derivation for continuum states does not exhibit any particular problem within the framework of the standard theory of quantum mechanics (QM), difficulties arise when considering an initially bound atomic state. Indeed the natural way of translating the unperturbed momentum by the laser vector potential is no longer possible since a bound state does not exhibit a plane wave form explicitly including a momentum. The use of a fractal space permits to naturally define a momentum for a bound wave function. Within this framework, it is shown how the derivation of laser-dressed bound states can be performed. Based on a generalized eikonal approach, a new expression for the laser-dressed states is also derived, fully symmetric relative to the continuum or bound nature of the initial unperturbed wave function. It includes an additional crossed term in the Volkov phase which was not obtained within the standard theory of quantum mechanics. The derivations within this fractal framework have highlighted other possible ways to derive approximate laser-dressed states in QM. After comparing the various obtained wave functions, an application to the prediction of the ionization probability of hydrogen targets by attosecond XUV pulses within the sudden approximation is provided. This approach allows to make predictions in various regimes depending on the laser intensity, going from the non-resonant multiphoton absorption to tunneling and barrier-suppression ionization.

Run-up parameterization and beach vulnerability assessment on a barrier island: a downscaling approach

NASA Astrophysics Data System (ADS)

Medellín, G.; Brinkkemper, J. A.; Torres-Freyermuth, A.; Appendini, C. M.; Mendoza, E. T.; Salles, P.

2016-01-01

We present a downscaling approach for the study of wave-induced extreme water levels at a location on a barrier island in Yucatán (Mexico). Wave information from a 30-year wave hindcast is validated with in situ measurements at 8 m water depth. The maximum dissimilarity algorithm is employed for the selection of 600 representative cases, encompassing different combinations of wave characteristics and tidal level. The selected cases are propagated from 8 m water depth to the shore using the coupling of a third-generation wave model and a phase-resolving non-hydrostatic nonlinear shallow-water equation model. Extreme wave run-up, R2%, is estimated for the simulated cases and can be further employed to reconstruct the 30-year time series using an interpolation algorithm. Downscaling results show run-up saturation during more energetic wave conditions and modulation owing to tides. The latter suggests that the R2% can be parameterized using a hyperbolic-like formulation with dependency on both wave height and tidal level. The new parametric formulation is in agreement with the downscaling results (r2 = 0.78), allowing a fast calculation of wave-induced extreme water levels at this location. Finally, an assessment of beach vulnerability to wave-induced extreme water levels is conducted at the study area by employing the two approaches (reconstruction/parameterization) and a storm impact scale. The 30-year extreme water level hindcast allows the calculation of beach vulnerability as a function of return periods. It is shown that the downscaling-derived parameterization provides reasonable results as compared with the numerical approach. This methodology can be extended to other locations and can be further improved by incorporating the storm surge contributions to the extreme water level.

Three-dimensional wave-induced current model equations and radiation stresses

NASA Astrophysics Data System (ADS)

Xia, Hua-yong

2017-08-01

After the approach by Mellor (2003, 2008), the present paper reports on a repeated effort to derive the equations for three-dimensional wave-induced current. Via the vertical momentum equation and a proper coordinate transformation, the phase-averaged wave dynamic pressure is well treated, and a continuous and depth-dependent radiation stress tensor, rather than the controversial delta Dirac function at the surface shown in Mellor (2008), is provided. Besides, a phase-averaged vertical momentum flux over a sloping bottom is introduced. All the inconsistencies in Mellor (2003, 2008), pointed out by Ardhuin et al. (2008) and Bennis and Ardhuin (2011), are overcome in the presently revised equations. In a test case with a sloping sea bed, as shown in Ardhuin et al. (2008), the wave-driving forces derived in the present equations are in good balance, and no spurious vertical circulation occurs outside the surf zone, indicating that Airy's wave theory and the approach of Mellor (2003, 2008) are applicable for the derivation of the wave-induced current model.

Effect of Shock Waves on Dielectric Properties of KDP Crystal

NASA Astrophysics Data System (ADS)

Sivakumar, A.; Suresh, S.; Pradeep, J. Anto; Balachandar, S.; Martin Britto Dhas, S. A.

2018-05-01

An alternative non-destructive approach is proposed and demonstrated for modifying electrical properties of crystal using shock-waves. The method alters dielectric properties of a potassium dihydrogen phosphate (KDP) crystal by loading shock-waves generated by a table-top shock tube. The experiment involves launching the shock-waves perpendicular to the (100) plane of the crystal using a pressure driven table-top shock tube with Mach number 1.9. Electrical properties of dielectric constant, dielectric loss, permittivity, impedance, AC conductivity, DC conductivity and capacitance as a function of spectrum of frequency from 1 Hz to 1 MHz are reported for both pre- and post-shock wave loaded conditions of the KDP crystal. The experimental results reveal that dielectric constant of KDP crystal is sensitive to the shock waves such that the value decreases for the shock-loaded KDP sample from 158 to 147. The advantage of the proposed approach is that it is an alternative to the conventional doping process for tailoring dielectric properties of this type of crystal.

Complex Correlation Calculation of e-H Total Cross Sections

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

2001-01-01

Calculation of e-H total and elastic partial wave cross sections is being carried out using the complex correlation variational T-matrix method. In this preliminary study, elastic partial wave phase shifts are calculated with the correlation functions which are confined to be real. In that case the method reduces to the conventional optical potential approach with projection operators. The number of terms in the Hylleraas-type wave function for the S phase shifts is 95 while for the S it is 56, except for k=0.8 where it is 84. Our results, which are rigorous lower bounds, are given. They are seen to be in general agreement with those of Schwartz, but they are of 0 greater accuracy and outside of his error limits for k=0.3 and 0.4 for S. The main aim of this approach' is the application to higher energy scattering. By virtue of the complex correlation functions, the T matrix is not unitary so that elastic and total scattering cross sections are independent of each other. Our results will be compared specifically with those of Bray and Stelbovics.

Complex Correlation Calculation of e(-) - H Total Cross Sections

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

2001-01-01

Calculation of e(-) - H total and elastic partial wave cross sections is being carried out using the complex correlation variational T-matrix method. In this preliminary study, elastic partial wave phase shifts are calculated with the correlation functions which are confined to be real. In that case the method reduces to the conventional optical potential approach with 2 projection operators. The number of terms in the Hylleraas-type wave function for the S-1 phase shifts is 95 while for the S-3 it is 56, except for k = 0.8 where it is 84. Our results, which are rigorous lower bounds, are seen to be in general agreement with those of Schwartz, but they are of greater accuracy and outside of his error limits for k = 0.3 and 0.4 for S-1. The main aim of this approach is the application to higher energy scattering. By virtue of the complex correlation functions, the T-matrix is not unitary so that elastic and total scattering cross sections are independent of each other. Our results will be compared specifically with those of Bray and Stelbovics.

Wind Wave Behavior in Fetch and Depth Limited Estuaries

NASA Astrophysics Data System (ADS)

Karimpour, Arash; Chen, Qin; Twilley, Robert R.

2017-01-01

Wetland dominated estuaries serve as one of the most productive natural ecosystems through their ecological, economic and cultural services, such as nursery grounds for fisheries, nutrient sequestration, and ecotourism. The ongoing deterioration of wetland ecosystems in many shallow estuaries raises concerns about the contributing erosive processes and their roles in restraining coastal restoration efforts. Given the combination of wetlands and shallow bays as landscape components that determine the function of estuaries, successful restoration strategies require knowledge of wind wave behavior in fetch and depth limited water as a critical design feature. We experimentally evaluate physics of wind wave growth in fetch and depth limited estuaries. We demonstrate that wave growth rate in shallow estuaries is a function of wind fetch to water depth ratio, which helps to develop a new set of parametric wave growth equations. We find that the final stage of wave growth in shallow estuaries can be presented by a product of water depth and wave number, whereby their product approaches 1.363 as either depth or wave energy increases. Suggested wave growth equations and their asymptotic constraints establish the magnitude of wave forces acting on wetland erosion that must be included in ecosystem restoration design.

Wind Wave Behavior in Fetch and Depth Limited Estuaries

PubMed Central

Karimpour, Arash; Chen, Qin; Twilley, Robert R.

2017-01-01

Wetland dominated estuaries serve as one of the most productive natural ecosystems through their ecological, economic and cultural services, such as nursery grounds for fisheries, nutrient sequestration, and ecotourism. The ongoing deterioration of wetland ecosystems in many shallow estuaries raises concerns about the contributing erosive processes and their roles in restraining coastal restoration efforts. Given the combination of wetlands and shallow bays as landscape components that determine the function of estuaries, successful restoration strategies require knowledge of wind wave behavior in fetch and depth limited water as a critical design feature. We experimentally evaluate physics of wind wave growth in fetch and depth limited estuaries. We demonstrate that wave growth rate in shallow estuaries is a function of wind fetch to water depth ratio, which helps to develop a new set of parametric wave growth equations. We find that the final stage of wave growth in shallow estuaries can be presented by a product of water depth and wave number, whereby their product approaches 1.363 as either depth or wave energy increases. Suggested wave growth equations and their asymptotic constraints establish the magnitude of wave forces acting on wetland erosion that must be included in ecosystem restoration design. PMID:28098236

Wind Wave Behavior in Fetch and Depth Limited Estuaries.

PubMed

Karimpour, Arash; Chen, Qin; Twilley, Robert R

2017-01-18

Wetland dominated estuaries serve as one of the most productive natural ecosystems through their ecological, economic and cultural services, such as nursery grounds for fisheries, nutrient sequestration, and ecotourism. The ongoing deterioration of wetland ecosystems in many shallow estuaries raises concerns about the contributing erosive processes and their roles in restraining coastal restoration efforts. Given the combination of wetlands and shallow bays as landscape components that determine the function of estuaries, successful restoration strategies require knowledge of wind wave behavior in fetch and depth limited water as a critical design feature. We experimentally evaluate physics of wind wave growth in fetch and depth limited estuaries. We demonstrate that wave growth rate in shallow estuaries is a function of wind fetch to water depth ratio, which helps to develop a new set of parametric wave growth equations. We find that the final stage of wave growth in shallow estuaries can be presented by a product of water depth and wave number, whereby their product approaches 1.363 as either depth or wave energy increases. Suggested wave growth equations and their asymptotic constraints establish the magnitude of wave forces acting on wetland erosion that must be included in ecosystem restoration design.

Landau damping of Langmuir twisted waves with kappa distributed electrons

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

Arshad, Kashif, E-mail: kashif.arshad.butt@gmail.com; Aman-ur-Rehman; Mahmood, Shahzad

2015-11-15

The kinetic theory of Landau damping of Langmuir twisted modes is investigated in the presence of orbital angular momentum of the helical (twisted) electric field in plasmas with kappa distributed electrons. The perturbed distribution function and helical electric field are considered to be decomposed by Laguerre-Gaussian mode function defined in cylindrical geometry. The Vlasov-Poisson equation is obtained and solved analytically to obtain the weak damping rates of the Langmuir twisted waves in a nonthermal plasma. The strong damping effects of the Langmuir twisted waves at wavelengths approaching Debye length are also obtained by using an exact numerical method and aremore » illustrated graphically. The damping rates of the planar Langmuir waves are found to be larger than the twisted Langmuir waves in plasmas which shows opposite behavior as depicted in Fig. 3 by J. T. Mendoça [Phys. Plasmas 19, 112113 (2012)].« less

Almost analytical Karhunen-Loeve representation of irregular waves based on the prolate spheroidal wave functions

NASA Astrophysics Data System (ADS)

Lee, Gibbeum; Cho, Yeunwoo

2017-11-01

We present an almost analytical new approach to solving the matrix eigenvalue problem or the integral equation in Karhunen-Loeve (K-L) representation of random data such as irregular ocean waves. Instead of solving this matrix eigenvalue problem purely numerically, which may suffer from the computational inaccuracy for big data, first, we consider a pair of integral and differential equations, which are related to the so-called prolate spheroidal wave functions (PSWF). For the PSWF differential equation, the pair of the eigenvectors (PSWF) and eigenvalues can be obtained from a relatively small number of analytical Legendre functions. Then, the eigenvalues in the PSWF integral equation are expressed in terms of functional values of the PSWF and the eigenvalues of the PSWF differential equation. Finally, the analytically expressed PSWFs and the eigenvalues in the PWSF integral equation are used to form the kernel matrix in the K-L integral equation for the representation of exemplary wave data; ordinary irregular waves and rogue waves. We found that the present almost analytical method is better than the conventional data-independent Fourier representation and, also, the conventional direct numerical K-L representation in terms of both accuracy and computational cost. This work was supported by the National Research Foundation of Korea (NRF). (NRF-2017R1D1A1B03028299).

Corrigendum: First principles calculation of field emission from nanostructures using time-dependent density functional theory: A simplified approach

NASA Astrophysics Data System (ADS)

Tawfik, Sherif A.; El-Sheikh, S. M.; Salem, N. M.

2016-09-01

Recently we have become aware that the description of the quantum wave functions in Sec. 2.1 is incorrect. In the published version of the paper, we have stated that the states are expanded in terms of plane waves. However, the correct description of the quantum states in the context of the real space implementation (using the Octopus code) is that states are represented by discrete points in a real space grid.

Disability and recovery in schizophrenia: a systematic review of cognitive behavioral therapy interventions.

PubMed

Nowak, Izabela; Sabariego, Carla; Świtaj, Piotr; Anczewska, Marta

2016-07-11

Schizophrenia is a disabling disease that impacts all major life areas. There is a growing need for meeting the challenge of disability from a perspective that extends symptomatic reduction. Therefore, this study aimed to systematically review the extent to which traditional and "third wave" cognitive - behavioral (CBT) interventions address the whole scope of disabilities experienced by people with lived experience of schizophrenia using the WHO's International Classification of Functioning, Disability and Health (ICF) as a frame of reference. It also explores if current CBT interventions focus on recovery and what is their impact on disability domains. Medline and PsycINFO databases were searched for studies published in English between January 2009 and December 2015. Abstracts and full papers were screened against pre-defined selection criteria by two reviewers. Methodological quality of included studies was assessed by two independent raters using the Effective Public Health Practice Project Quality assessment tool for quantitative studies (EPHPP) guidelines. A total of 50 studies were included, 35 studies evaluating traditional CBT interventions and 15 evaluating "third wave" approaches. Overall, traditional CBT interventions addressed more disability domains than "third wave" approaches and mostly focused on mental functions reflecting schizophrenia psychopathology. Seven studies met the inclusion criteria of recovery-oriented interventions. The majority of studies evaluating these interventions had however a high risk of bias, therefore evidence on their effectiveness is inconclusive. Traditional CBT interventions address more disability domains than "third wave" therapies, however both approaches focus mostly on mental functions that reflect schizophrenia psychopathology. There are also few interventions that focus on recovery. These results indicate that CBT interventions going beyond symptom reduction are still needed. Recovery-focused CBT interventions seem to be a promising treatment approach as they target disability from a broader perspective including activity and participation domains. Although their effectiveness is inconclusive, they reflect users' views of recovery and trends towards improvement of mood, negative symptoms and functioning are shown.

Triple differential cross sections of magnesium in doubly symmetric geometry

NASA Astrophysics Data System (ADS)

S, Y. Sun; X, Y. Miao; Xiang-Fu, Jia

2016-01-01

A dynamically screened three-Coulomb-wave (DS3C) method is applied to study the single ionization of magnesium by electron impact. Triple differential cross sections (TDCS) are calculated in doubly symmetric geometry at incident energies of 13.65, 17.65, 22.65, 27.65, 37.65, 47.65, 57.65, and 67.65 eV. Comparisons are made with experimental data and theoretical predictions from a three-Coulomb-wave function (3C) approach and distorted-wave Born approximation (DWBA). The overall agreement between the predictions of the DS3C model and the DWBA approach with the experimental data is satisfactory. Project supported by the National Natural Science Foundation of China (Grant No. 11274215).

Coating thickness affects surface stress measurement of brush electro-plating nickel coating using Rayleigh wave approach.

PubMed

Liu, Bin; Dong, Shiyun; Xu, Binshi; He, Peng

2012-09-01

A surface ultrasonic wave approach was presented for measuring surface stress of brush electro-plating nickel coating specimen, and the influence of coating thickness on surface stress measurement was discussed. In this research, two Rayleigh wave transducers with 5MHz frequency were employed to collect Rayleigh wave signals of coating specimen with different static tensile stresses and different coating thickness. The difference in time of flight between two Rayleigh wave signals was determined based on normalized cross correlation function. The influence of stress on propagation velocity of Rayleigh wave and the relationship between the difference in time of flight and tensile stress that corresponded to different coating thickness were discussed. Results indicate that inhomogeneous deformation of coating affects the relationship between the difference in time of flight and tensile stress, velocity of Rayleigh wave propagating in coating specimen increases with coating thickness increasing, and the variation rate reduces of difference in time of flight with tensile stress increasing as coating thickness increases. Copyright © 2012 Elsevier B.V. All rights reserved.

TRILEX and G W +EDMFT approach to d -wave superconductivity in the Hubbard model

NASA Astrophysics Data System (ADS)

Vučičević, J.; Ayral, T.; Parcollet, O.

2017-09-01

We generalize the recently introduced TRILEX approach (TRiply irreducible local EXpansion) to superconducting phases. The method treats simultaneously Mott and spin-fluctuation physics using an Eliashberg theory supplemented by local vertex corrections determined by a self-consistent quantum impurity model. We show that, in the two-dimensional Hubbard model, at strong coupling, TRILEX yields a d -wave superconducting dome as a function of doping. Contrary to the standard cluster dynamical mean field theory (DMFT) approaches, TRILEX can capture d -wave pairing using only a single-site effective impurity model. We also systematically explore the dependence of the superconducting temperature on the bare dispersion at weak coupling, which shows a clear link between strong antiferromagnetic (AF) correlations and the onset of superconductivity. We identify a combination of hopping amplitudes particularly favorable to superconductivity at intermediate doping. Finally, we study within G W +EDMFT the low-temperature d -wave superconducting phase at strong coupling in a region of parameter space with reduced AF fluctuations.

A semi-analytical method for near-trapped mode and fictitious frequencies of multiple scattering by an array of elliptical cylinders in water waves

NASA Astrophysics Data System (ADS)

Chen, Jeng-Tzong; Lee, Jia-Wei

2013-09-01

In this paper, we focus on the water wave scattering by an array of four elliptical cylinders. The null-field boundary integral equation method (BIEM) is used in conjunction with degenerate kernels and eigenfunctions expansion. The closed-form fundamental solution is expressed in terms of the degenerate kernel containing the Mathieu and the modified Mathieu functions in the elliptical coordinates. Boundary densities are represented by using the eigenfunction expansion. To avoid using the addition theorem to translate the Mathieu functions, the present approach can solve the water wave problem containing multiple elliptical cylinders in a semi-analytical manner by introducing the adaptive observer system. Regarding water wave problems, the phenomena of numerical instability of fictitious frequencies may appear when the BIEM/boundary element method (BEM) is used. Besides, the near-trapped mode for an array of four identical elliptical cylinders is observed in a special layout. Both physical (near-trapped mode) and mathematical (fictitious frequency) resonances simultaneously appear in the present paper for a water wave problem by an array of four identical elliptical cylinders. Two regularization techniques, the combined Helmholtz interior integral equation formulation (CHIEF) method and the Burton and Miller approach, are adopted to alleviate the numerical resonance due to fictitious frequency.

Airy function approach and Numerov method to study the anharmonic oscillator potentials V(x) = Ax{sup 2α} + Bx{sup 2}

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

Al Sdran, N.; Najran University, Faculty of Sciences and Arts, Najran; Maiz, F., E-mail: fethimaiz@gmail.com

2016-06-15

The numerical solutions of the time independent Schrödinger equation of different one-dimensional potentials forms are sometime achieved by the asymptotic iteration method. Its importance appears, for example, on its efficiency to describe vibrational system in quantum mechanics. In this paper, the Airy function approach and the Numerov method have been used and presented to study the oscillator anharmonic potential V(x) = Ax{sup 2α} + Bx{sup 2}, (A>0, B<0), with (α = 2) for quadratic, (α =3) for sextic and (α =4) for octic anharmonic oscillators. The Airy function approach is based on the replacement of the real potential V(x) bymore » a piecewise-linear potential v(x), while, the Numerov method is based on the discretization of the wave function on the x-axis. The first energies levels have been calculated and the wave functions for the sextic system have been evaluated. These specific values are unlimited by the magnitude of A, B and α. It’s found that the obtained results are in good agreement with the previous results obtained by the asymptotic iteration method for α =3.« less

Coherence and dimensionality of intense spatiospectral twin beams

NASA Astrophysics Data System (ADS)

Peřina, Jan

2015-07-01

Spatiospectral properties of twin beams at their transition from low to high intensities are analyzed in parametric and paraxial approximations using decomposition into paired spatial and spectral modes. Intensity auto- and cross-correlation functions are determined and compared in the spectral and temporal domains as well as the transverse wave-vector and crystal output planes. Whereas the spectral, temporal, and transverse wave-vector coherence increases with the increasing pump intensity, coherence in the crystal output plane is almost independent of the pump intensity owing to the mode structure in this plane. The corresponding auto- and cross-correlation functions approach each other for larger pump intensities. The entanglement dimensionality of a twin beam is determined with a comparison of several approaches.

Electromagnetic wave scattering from some vegetation samples

NASA Technical Reports Server (NTRS)

Karam, Mostafa A.; Fung, Adrian K.; Antar, Yahia M.

1988-01-01

For an incident plane wave, the field inside a thin scatterer (disk and needle) is estimated by the generalized Rayleigh-Gans (GRG) approximation. This leads to a scattering amplitude tensor equal to that obtained via the Rayleigh approximation (dipole term) with a modifying function. For a finite-length cylinder the inner field is estimated by the corresponding field for the same cylinder of infinite lenght. The effects of different approaches in estimating the field inside the scatterer on the backscattering cross section are illustrated numerically for a circular disk, a needle, and a finite-length cylinder as a function of the wave number and the incidence angle. Finally, the modeling predictions are compared with measurements.

Non-perturbational surface-wave inversion: A Dix-type relation for surface waves

USGS Publications Warehouse

Haney, Matt; Tsai, Victor C.

2015-01-01

We extend the approach underlying the well-known Dix equation in reflection seismology to surface waves. Within the context of surface wave inversion, the Dix-type relation we derive for surface waves allows accurate depth profiles of shear-wave velocity to be constructed directly from phase velocity data, in contrast to perturbational methods. The depth profiles can subsequently be used as an initial model for nonlinear inversion. We provide examples of the Dix-type relation for under-parameterized and over-parameterized cases. In the under-parameterized case, we use the theory to estimate crustal thickness, crustal shear-wave velocity, and mantle shear-wave velocity across the Western U.S. from phase velocity maps measured at 8-, 20-, and 40-s periods. By adopting a thin-layer formalism and an over-parameterized model, we show how a regularized inversion based on the Dix-type relation yields smooth depth profiles of shear-wave velocity. In the process, we quantitatively demonstrate the depth sensitivity of surface-wave phase velocity as a function of frequency and the accuracy of the Dix-type relation. We apply the over-parameterized approach to a near-surface data set within the frequency band from 5 to 40 Hz and find overall agreement between the inverted model and the result of full nonlinear inversion.

An optimization-based approach for solving a time-harmonic multiphysical wave problem with higher-order schemes

NASA Astrophysics Data System (ADS)

Mönkölä, Sanna

2013-06-01

This study considers developing numerical solution techniques for the computer simulations of time-harmonic fluid-structure interaction between acoustic and elastic waves. The focus is on the efficiency of an iterative solution method based on a controllability approach and spectral elements. We concentrate on the model, in which the acoustic waves in the fluid domain are modeled by using the velocity potential and the elastic waves in the structure domain are modeled by using displacement. Traditionally, the complex-valued time-harmonic equations are used for solving the time-harmonic problems. Instead of that, we focus on finding periodic solutions without solving the time-harmonic problems directly. The time-dependent equations can be simulated with respect to time until a time-harmonic solution is reached, but the approach suffers from poor convergence. To overcome this challenge, we follow the approach first suggested and developed for the acoustic wave equations by Bristeau, Glowinski, and Périaux. Thus, we accelerate the convergence rate by employing a controllability method. The problem is formulated as a least-squares optimization problem, which is solved with the conjugate gradient (CG) algorithm. Computation of the gradient of the functional is done directly for the discretized problem. A graph-based multigrid method is used for preconditioning the CG algorithm.

Semiclassical wave packet treatment of scattering resonances: application to the delta zero-point energy effect in recombination reactions.

PubMed

Vetoshkin, Evgeny; Babikov, Dmitri

2007-09-28

For the first time Feshbach-type resonances important in recombination reactions are characterized using the semiclassical wave packet method. This approximation allows us to determine the energies, lifetimes, and wave functions of the resonances and also to observe a very interesting correlation between them. Most important is that this approach permits description of a quantum delta-zero-point energy effect in recombination reactions and reproduces the anomalous rates of ozone formation.

Composite fermion basis for two-component Bose gases

NASA Astrophysics Data System (ADS)

Meyer, Marius; Liabotro, Ola

The composite fermion (CF) construction is known to produce wave functions that are not necessarily orthogonal, or even linearly independent, after projection. While usually not a practical issue in the quantum Hall regime, we have previously shown that it presents a technical challenge for rotating Bose gases with low angular momentum. These are systems where the CF approach yield surprisingly good approximations to the exact eigenstates of weak short-range interactions, and so solving the problem of linearly dependent wave functions is of interest. It can also be useful for studying CF excitations for fermions. Here we present several ways of constructing a basis for the space of ``simple CF states'' for two-component rotating Bose gases in the lowest Landau level, and prove that they all give a basis. Using the basis, we study the structure of the lowest-lying state using so-called restricted wave functions. We also examine the scaling of the overlap between the exact and CF wave functions at the maximal possible angular momentum for simple states. This work was financially supported by the Research Council of Norway.

Conservation of wave action. [in discrete oscillating system

NASA Technical Reports Server (NTRS)

Hayes, W. D.

1974-01-01

It is pointed out that two basic principles appear in the theory of wave propagation, including the existence of a phase variable and a law governing the intensity, in terms of a conservation law. The concepts underlying such a conservation law are explored. The waves treated are conservative in the sense that they obey equations derivable from a variational principle applied to a Lagrangian functional. A discrete oscillating system is considered. The approach employed also permits in a natural way the definition of a local action density and flux in problems in which the waves are modal or general.

Recurrence approach and higher order polynomial algebras for superintegrable monopole systems

NASA Astrophysics Data System (ADS)

Hoque, Md Fazlul; Marquette, Ian; Zhang, Yao-Zhong

2018-05-01

We revisit the MIC-harmonic oscillator in flat space with monopole interaction and derive the polynomial algebra satisfied by the integrals of motion and its energy spectrum using the ad hoc recurrence approach. We introduce a superintegrable monopole system in a generalized Taub-Newman-Unti-Tamburino (NUT) space. The Schrödinger equation of this model is solved in spherical coordinates in the framework of Stäckel transformation. It is shown that wave functions of the quantum system can be expressed in terms of the product of Laguerre and Jacobi polynomials. We construct ladder and shift operators based on the corresponding wave functions and obtain the recurrence formulas. By applying these recurrence relations, we construct higher order algebraically independent integrals of motion. We show that the integrals form a polynomial algebra. We construct the structure functions of the polynomial algebra and obtain the degenerate energy spectra of the model.

A T Matrix Method Based upon Scalar Basis Functions

NASA Technical Reports Server (NTRS)

Mackowski, D.W.; Kahnert, F. M.; Mishchenko, Michael I.

2013-01-01

A surface integral formulation is developed for the T matrix of a homogenous and isotropic particle of arbitrary shape, which employs scalar basis functions represented by the translation matrix elements of the vector spherical wave functions. The formulation begins with the volume integral equation for scattering by the particle, which is transformed so that the vector and dyadic components in the equation are replaced with associated dipole and multipole level scalar harmonic wave functions. The approach leads to a volume integral formulation for the T matrix, which can be extended, by use of Green's identities, to the surface integral formulation. The result is shown to be equivalent to the traditional surface integral formulas based on the VSWF basis.

Density functional theory calculations of 95Mo NMR parameters in solid-state compounds.

PubMed

Cuny, Jérôme; Furet, Eric; Gautier, Régis; Le Pollès, Laurent; Pickard, Chris J; d'Espinose de Lacaillerie, Jean-Baptiste

2009-12-21

The application of periodic density functional theory-based methods to the calculation of (95)Mo electric field gradient (EFG) and chemical shift (CS) tensors in solid-state molybdenum compounds is presented. Calculations of EFG tensors are performed using the projector augmented-wave (PAW) method. Comparison of the results with those obtained using the augmented plane wave + local orbitals (APW+lo) method and with available experimental values shows the reliability of the approach for (95)Mo EFG tensor calculation. CS tensors are calculated using the recently developed gauge-including projector augmented-wave (GIPAW) method. This work is the first application of the GIPAW method to a 4d transition-metal nucleus. The effects of ultra-soft pseudo-potential parameters, exchange-correlation functionals and structural parameters are precisely examined. Comparison with experimental results allows the validation of this computational formalism.

Strong potential wave functions with elastic channel distortion

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

Macek, J.; Taulbjerg, K.

1989-06-01

The strong-potential Born approximation is analyzed in a channel-distorted-wave approach. Channel-distorted SPB wave functions are reduced to a conventional form in which the standard off-energy-shell factor /ital g/ has been replaced by a modified factor ..gamma.., which represents a suitable average of /ital g/ over the momentum distribution of the distorted-channel function. The modified factor is evaluated in a physically realistic model for the distortion potential, and it is found that ..gamma.. is well represented by a slowly varying phase factor. The channel-distorted SPB approximation is accordingly identical to the impulse approximation if the phase variation of ..gamma.. can bemore » ignored. This is generally the case in applications to radiative electron capture and to a good approximation for ordinary capture at not too small velocities.« less

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.

Topology optimized design of functionally graded piezoelectric ultrasonic transducers

NASA Astrophysics Data System (ADS)

Rubio, Wilfredo Montealegre; Buiochi, Flávio; Adamowski, Julio Cezar; Silva, Emílio C. N.

2010-01-01

This work presents a new approach to systematically design piezoelectric ultrasonic transducers based on Topology Optimization Method (TOM) and Functionally Graded Material (FGM) concepts. The main goal is to find the optimal material distribution of Functionally Graded Piezoelectric Ultrasonic Transducers, to achieve the following requirements: (i) the transducer must be designed to have a multi-modal or uni-modal frequency response, which defines the kind of generated acoustic wave, either short pulse or continuous wave, respectively; (ii) the transducer is required to oscillate in a thickness extensional mode or piston-like mode, aiming at acoustic wave generation applications. Two kinds of piezoelectric materials are mixed for producing the FGM transducer. Material type 1 represents a PZT-5A piezoelectric ceramic and material type 2 represents a PZT-5H piezoelectric ceramic. To illustrate the proposed method, two Functionally Graded Piezoelectric Ultrasonic Transducers are designed. The TOM has shown to be a useful tool for designing Functionally Graded Piezoelectric Ultrasonic Transducers with uni-modal or multi-modal dynamic behavior.

All electrical propagating spin wave spectroscopy with broadband wavevector capability

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

Ciubotaru, F., E-mail: Florin.Ciubotaru@imec.be; KU Leuven, Departement Electrotechniek; Devolder, T.

2016-07-04

We developed an all electrical experiment to perform the broadband phase-resolved spectroscopy of propagating spin waves in micrometer sized thin magnetic stripes. The magnetostatic surface spin waves are excited and detected by scaled down to 125 nm wide inductive antennas, which award ultra broadband wavevector capability. The wavevector selection can be done by applying an excitation frequency above the ferromagnetic resonance. Wavevector demultiplexing is done at the spin wave detector thanks to the rotation of the spin wave phase upon propagation. A simple model accounts for the main features of the apparatus transfer functions. Our approach opens an avenue for themore » all electrical study of wavevector-dependent spin wave properties including dispersion spectra or non-reciprocal propagation.« less

Thunder-induced ground motions: 1. Observations

NASA Astrophysics Data System (ADS)

Lin, Ting-L.; Langston, Charles A.

2009-04-01

Acoustic pressure from thunder and its induced ground motions were investigated using a small array consisting of five three-component short-period surface seismometers, a three-component borehole seismometer, and five infrasound microphones. We used the array to constrain wave parameters of the incident acoustic and seismic waves. The incident slowness differences between acoustic pressure and ground motions suggest that ground reverberations were first initiated somewhat away from the array. Using slowness inferred from ground motions is preferable to obtain the seismic source parameters. We propose a source equalization procedure for acoustic/seismic deconvolution to generate the time domain transfer function, a procedure similar to that of obtaining teleseismic earthquake receiver functions. The time domain transfer function removes the incident pressure time history from the seismogram. An additional vertical-to-radial ground motion transfer function was used to identify the Rayleigh wave propagation mode of induced seismic waves complementing that found using the particle motions and amplitude variations in the borehole. The initial motions obtained by the time domain transfer functions suggest a low Poisson's ratio for the near-surface layer. The acoustic-to-seismic transfer functions show a consistent reverberation series at frequencies near 5 Hz. This gives an empirical measure of site resonance that depends on the ratio of the layer velocity to layer thickness for earthquake P and S waves. The time domain transfer function approach by transferring a spectral division into the time domain provides an alternative method for studying acoustic-to-seismic coupling.

Acoustic wave propagation in continuous functionally graded plates: an extension of the Legendre polynomial approach.

PubMed

Lefebvre, J E; Zhang, V; Gazalet, J; Gryba, T; Sadaune, V

2001-09-01

The propagation of guided waves in continuous functionally graded plates is studied by using Legendre polynomials. Dispersion curves, and power and field profiles are easily obtained. Our computer program is validated by comparing our results against other calculations from the literature. Numerical results are also given for a graded semiconductor plate. It is felt that the present method could be of quite practical interest in waveguiding engineering, non-destructive testing of functionally graded materials (FGMs) to identify the best inspection strategies, or by means of a numerical inversion algorithm to determine through-thickness gradients in material parameters.

Nonlinear model predictive control of a wave energy converter based on differential flatness parameterisation

NASA Astrophysics Data System (ADS)

Li, Guang

2017-01-01

This paper presents a fast constrained optimization approach, which is tailored for nonlinear model predictive control of wave energy converters (WEC). The advantage of this approach relies on its exploitation of the differential flatness of the WEC model. This can reduce the dimension of the resulting nonlinear programming problem (NLP) derived from the continuous constrained optimal control of WEC using pseudospectral method. The alleviation of computational burden using this approach helps to promote an economic implementation of nonlinear model predictive control strategy for WEC control problems. The method is applicable to nonlinear WEC models, nonconvex objective functions and nonlinear constraints, which are commonly encountered in WEC control problems. Numerical simulations demonstrate the efficacy of this approach.

On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data.

PubMed

Malbon, Christopher L; Zhu, Xiaolei; Guo, Hua; Yarkony, David R

2016-12-21

For two electronic states coupled by conical intersections, the line integral of the derivative coupling can be used to construct a complex-valued multiplicative phase factor that makes the real-valued adiabatic electronic wave function single-valued, provided that the curl of the derivative coupling is zero. Unfortunately for ab initio determined wave functions, the curl is never rigorously zero. However, when the wave functions are determined from a coupled two diabatic state Hamiltonian H d (fit to ab initio data), the resulting derivative couplings are by construction curl free, except at points of conical intersection. In this work we focus on a recently introduced diabatization scheme that produces the H d by fitting ab initio determined energies, energy gradients, and derivative couplings to the corresponding H d determined quantities in a least squares sense, producing a removable approximation to the ab initio determined derivative coupling. This approach and related numerical issues associated with the nonremovable ab initio derivative couplings are illustrated using a full 33-dimensional representation of phenol photodissociation. The use of this approach to provide a general framework for treating the molecular Aharonov Bohm effect is demonstrated.

Bohmian mechanics without wave function ontology

NASA Astrophysics Data System (ADS)

Solé, Albert

2013-11-01

In this paper, I critically assess different interpretations of Bohmian mechanics that are not committed to an ontology based on the wave function being an actual physical object that inhabits configuration space. More specifically, my aim is to explore the connection between the denial of configuration space realism and another interpretive debate that is specific to Bohmian mechanics: the quantum potential versus guidance approaches. Whereas defenders of the quantum potential approach to the theory claim that Bohmian mechanics is better formulated as quasi-Newtonian, via the postulation of forces proportional to acceleration; advocates of the guidance approach defend the notion that the theory is essentially first-order and incorporates some concepts akin to those of Aristotelian physics. Here I analyze whether the desideratum of an interpretation of Bohmian mechanics that is both explanatorily adequate and not committed to configuration space realism favors one of these two approaches to the theory over the other. Contrary to some recent claims in the literature, I argue that the quasi-Newtonian approach based on the idea of a quantum potential does not come out the winner.

Love waves in functionally graded piezoelectric materials by stiffness matrix method.

PubMed

Ben Salah, Issam; Wali, Yassine; Ben Ghozlen, Mohamed Hédi

2011-04-01

A numerical matrix method relative to the propagation of ultrasonic guided waves in functionally graded piezoelectric heterostructure is given in order to make a comparative study with the respective performances of analytical methods proposed in literature. The preliminary obtained results show a good agreement, however numerical approach has the advantage of conceptual simplicity and flexibility brought about by the stiffness matrix method. The propagation behaviour of Love waves in a functionally graded piezoelectric material (FGPM) is investigated in this article. It involves a thin FGPM layer bonded perfectly to an elastic substrate. The inhomogeneous FGPM heterostructure has been stratified along the depth direction, hence each state can be considered as homogeneous and the ordinary differential equation method is applied. The obtained solutions are used to study the effect of an exponential gradient applied to physical properties. Such numerical approach allows applying different gradient variation for mechanical and electrical properties. For this case, the obtained results reveal opposite effects. The dispersive curves and phase velocities of the Love wave propagation in the layered piezoelectric film are obtained for electrical open and short cases on the free surface, respectively. The effect of gradient coefficients on coupled electromechanical factor, on the stress fields, the electrical potential and the mechanical displacement are discussed, respectively. Illustration is achieved on the well known heterostructure PZT-5H/SiO(2), the obtained results are especially useful in the design of high-performance acoustic surface devices and accurately prediction of the Love wave propagation behaviour. Copyright © 2010 Elsevier B.V. All rights reserved.

A Nonparametric Approach to Automated S-Wave Picking

NASA Astrophysics Data System (ADS)

Rawles, C.; Thurber, C. H.

2014-12-01

Although a number of very effective P-wave automatic pickers have been developed over the years, automatic picking of S waves has remained more challenging. Most automatic pickers take a parametric approach, whereby some characteristic function (CF), e.g. polarization or kurtosis, is determined from the data and the pick is estimated from the CF. We have adopted a nonparametric approach, estimating the pick directly from the waveforms. For a particular waveform to be auto-picked, the method uses a combination of similarity to a set of seismograms with known S-wave arrivals and dissimilarity to a set of seismograms that do not contain S-wave arrivals. Significant effort has been made towards dealing with the problem of S-to-P conversions. We have evaluated the effectiveness of our method by testing it on multiple sets of microearthquake seismograms with well-determined S-wave arrivals for several areas around the world, including fault zones and volcanic regions. In general, we find that the results from our auto-picker are consistent with reviewed analyst picks 90% of the time at the 0.2 s level and 80% of the time at the 0.1 s level, or better. For most of the large datasets we have analyzed, our auto-picker also makes far more S-wave picks than were made previously by analysts. We are using these enlarged sets of high-quality S-wave picks to refine tomographic inversions for these areas, resulting in substantial improvement in the quality of the S-wave images. We will show examples from New Zealand, Hawaii, and California.

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

Scherrer, Arne; UMR 8640 ENS-CNRS-UPMC, Département de Chimie, 24 rue Lhomond, École Normale Supérieure, 75005 Paris; UPMC Université Paris 06, 4, Place Jussieu, 75005 Paris

The nuclear velocity perturbation theory (NVPT) for vibrational circular dichroism (VCD) is derived from the exact factorization of the electron-nuclear wave function. This new formalism offers an exact starting point to include correction terms to the Born-Oppenheimer (BO) form of the molecular wave function, similar to the complete-adiabatic approximation. The corrections depend on a small parameter that, in a classical treatment of the nuclei, is identified as the nuclear velocity. Apart from proposing a rigorous basis for the NVPT, we show that the rotational strengths, related to the intensity of the VCD signal, contain a new contribution beyond-BO that canmore » be evaluated with the NVPT and that only arises when the exact factorization approach is employed. Numerical results are presented for chiral and non-chiral systems to test the validity of the approach.« less

Hadronic production of the P-wave excited B{sub c} states (B{sub cJ,L=1}*)

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

Chang, C.-H.; Institute of Theoretical Physics, Chinese Academy of Sciences, P.O. Box 2735, Beijing 100080; Wang, J.-X.

2004-12-01

Adopting the complete {alpha}{sub s}{sup 4} approach of the perturbative QCD and the updated parton distribution functions, we have estimated the hadronic production of the P-wave excited B{sub c} states (B{sub cJ,L=1}*). In the estimate, special care has been paid to the dependence of the production amplitude on the derivative of the wave function at origin which is obtained by the potential model. For experimental references, main theoretical uncertainties are discussed, and the total cross section as well as the distributions of the production with reasonable cuts at the energies of Tevatron and CERN LHC are computed and presented properly.more » The results show that the P-wave production may contribute to the B{sub c}-meson production indirectly by a factor of about 0.5 of the direct production, and according to the estimated cross section, it is further worthwhile to study the possibility of observing the P-wave production itself experimentally.« less

Parallel pumping of a ferromagnetic nanostripe: Confinement quantization and off-resonant driving

NASA Astrophysics Data System (ADS)

Yarbrough, P. M.; Livesey, K. L.

2018-01-01

The parametric excitation of spin waves in a rectangular, ferromagnetic nanowire in the parallel pump configuration and with an applied field along the long axis of the wire is studied theoretically, using a semi-classical and semi-analytic Hamiltonian approach. We find that as a function of static applied field strength, there are jumps in the pump power needed to excite thermal spin waves. At these jumps, there is the possibility to non-resonantly excite spin waves near kz = 0. Spin waves with negative or positive group velocity and with different standing wave structures across the wire width can be excited by tuning the applied field. By using a magnetostatic Green's function that depends on both the nanowire's width and thickness—rather than just its aspect ratio—we also find that the threshold field strength varies considerably for nanowires with the same aspect ratio but of different sizes. Comparisons between different methods of calculations are made and the advantages and disadvantages of each are discussed.

Multiconfigurational short-range density-functional theory for open-shell systems

NASA Astrophysics Data System (ADS)

Hedegârd, Erik Donovan; Toulouse, Julien; Jensen, Hans Jørgen Aagaard

2018-06-01

Many chemical systems cannot be described by quantum chemistry methods based on a single-reference wave function. Accurate predictions of energetic and spectroscopic properties require a delicate balance between describing the most important configurations (static correlation) and obtaining dynamical correlation efficiently. The former is most naturally done through a multiconfigurational (MC) wave function, whereas the latter can be done by, e.g., perturbation theory. We have employed a different strategy, namely, a hybrid between multiconfigurational wave functions and density-functional theory (DFT) based on range separation. The method is denoted by MC short-range DFT (MC-srDFT) and is more efficient than perturbative approaches as it capitalizes on the efficient treatment of the (short-range) dynamical correlation by DFT approximations. In turn, the method also improves DFT with standard approximations through the ability of multiconfigurational wave functions to recover large parts of the static correlation. Until now, our implementation was restricted to closed-shell systems, and to lift this restriction, we present here the generalization of MC-srDFT to open-shell cases. The additional terms required to treat open-shell systems are derived and implemented in the DALTON program. This new method for open-shell systems is illustrated on dioxygen and [Fe(H2O)6]3+.

Unsteady Solution of Non-Linear Differential Equations Using Walsh Function Series

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.

2015-01-01

Walsh functions form an orthonormal basis set consisting of square waves. The discontinuous nature of square waves make the system well suited for representing functions with discontinuities. The product of any two Walsh functions is another Walsh function - a feature that can radically change an algorithm for solving non-linear partial differential equations (PDEs). The solution algorithm of non-linear differential equations using Walsh function series is unique in that integrals and derivatives may be computed using simple matrix multiplication of series representations of functions. Solutions to PDEs are derived as functions of wave component amplitude. Three sample problems are presented to illustrate the Walsh function series approach to solving unsteady PDEs. These include an advection equation, a Burgers equation, and a Riemann problem. The sample problems demonstrate the use of the Walsh function solution algorithms, exploiting Fast Walsh Transforms in multi-dimensions (O(Nlog(N))). Details of a Fast Walsh Reciprocal, defined here for the first time, enable inversion of aWalsh Symmetric Matrix in O(Nlog(N)) operations. Walsh functions have been derived using a fractal recursion algorithm and these fractal patterns are observed in the progression of pairs of wave number amplitudes in the solutions. These patterns are most easily observed in a remapping defined as a fractal fingerprint (FFP). A prolongation of existing solutions to the next highest order exploits these patterns. The algorithms presented here are considered a work in progress that provide new alternatives and new insights into the solution of non-linear PDEs.

Quantum mechanical reality according to Copenhagen 2.0

NASA Astrophysics Data System (ADS)

Din, Allan M.

2016-05-01

The long-standing conceptual controversies concerning the interpretation of nonrelativistic quantum mechanics are argued, on one hand, to be due to its incompleteness, as affirmed by Einstein. But on the other hand, it appears to be possible to complete it at least partially, as Bohr might have appreciated it, in the framework of its standard mathematical formalism with observables as appropriately defined self-adjoint operators. This completion of quantum mechanics is based on the requirement on laboratory physics to be effectively confined to a bounded space region and on the application of the von Neumann deficiency theorem to properly define a set of self-adjoint extensions of standard observables, e.g. the momenta and the Hamiltonian, in terms of certain isometries on the region boundary. This is formalized mathematically in the setting of a boundary ontology for the so-called Qbox in which the wave function acquires a supplementary dependence on a set of Additional Boundary Variables (ABV). It is argued that a certain geometric subset of the ABV parametrizing Quasi-Periodic Translational Isometries (QPTI) has a particular physical importance by allowing for the definition of an ontic wave function, which has the property of epitomizing the spatial wave function “collapse.” Concomitantly the standard wave function in an unbounded geometry is interpreted as an epistemic wave function, which together with the ontic QPTI wave function gives rise to the notion of two-wave duality, replacing the standard concept of wave-particle duality. More generally, this approach to quantum physics in a bounded geometry provides a novel analytical basis for a better understanding of several conceptual notions of quantum mechanics, including reality, nonlocality, entanglement and Heisenberg’s uncertainty relation. The scope of this analysis may be seen as a foundational update of the multiple versions 1.x of the Copenhagen interpretation of quantum mechanics, which is sufficiently incremental so as to be appropriately characterized as Copenhagen 2.0.

Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential.

PubMed

Grabowski, Ireneusz; Teale, Andrew M; Śmiga, Szymon; Bartlett, Rodney J

2011-09-21

The framework of ab initio density-functional theory (DFT) has been introduced as a way to provide a seamless connection between the Kohn-Sham (KS) formulation of DFT and wave-function based ab initio approaches [R. J. Bartlett, I. Grabowski, S. Hirata, and S. Ivanov, J. Chem. Phys. 122, 034104 (2005)]. Recently, an analysis of the impact of dynamical correlation effects on the density of the neon atom was presented [K. Jankowski, K. Nowakowski, I. Grabowski, and J. Wasilewski, J. Chem. Phys. 130, 164102 (2009)], contrasting the behaviour for a variety of standard density functionals with that of ab initio approaches based on second-order Møller-Plesset (MP2) and coupled cluster theories at the singles-doubles (CCSD) and singles-doubles perturbative triples [CCSD(T)] levels. In the present work, we consider ab initio density functionals based on second-order many-body perturbation theory and coupled cluster perturbation theory in a similar manner, for a range of small atomic and molecular systems. For comparison, we also consider results obtained from MP2, CCSD, and CCSD(T) calculations. In addition to this density based analysis, we determine the KS correlation potentials corresponding to these densities and compare them with those obtained for a range of ab initio density functionals via the optimized effective potential method. The correlation energies, densities, and potentials calculated using ab initio DFT display a similar systematic behaviour to those derived from electronic densities calculated using ab initio wave function theories. In contrast, typical explicit density functionals for the correlation energy, such as VWN5 and LYP, do not show behaviour consistent with this picture of dynamical correlation, although they may provide some degree of correction for already erroneous explicitly density-dependent exchange-only functionals. The results presented here using orbital dependent ab initio density functionals show that they provide a treatment of exchange and correlation contributions within the KS framework that is more consistent with traditional ab initio wave function based methods.

Validating the Kinematic Wave Approach for Rapid Soil Erosion Assessment and Improved BMP Site Selection to Enhance Training Land Sustainability

DTIC Science & Technology

2014-02-01

installation based on a Euclidean distance allocation and assigned that installation’s threshold values. The second approach used a thin - plate spline ...installation critical nLS+ thresholds involved spatial interpolation. A thin - plate spline radial basis functions (RBF) was selected as the...the interpolation of installation results using a thin - plate spline radial basis function technique. 6.5 OBJECTIVE #5: DEVELOP AND

Improving Short Wave Breaking Behavior In Surfbeat Models

NASA Astrophysics Data System (ADS)

Roelvink, J.; Daly, C.; Vandongeren, A. R.; van Thiel de Vries, J.; McCall, R.

2009-12-01

In present surfzone modeling three approaches are widely applied: short-wave resolving models, ‘surfbeat’ models, which resolve wave energy modulations on the time-scale of wave groups and their associated infragravity waves, and wave averaged models. In all three approaches, wave breaking is a process that is highly schematized and governed by several empirical coefficients. In this presentation we will focus on the breaking process in ‘surfbeat’ models, such as XBeach (Roelvink et al, 2009). These models need to describe the short wave dissipation by breaking as a function of the slowly-varying short wave energy or wave height. The model usually applied is that by Roelvink (1993), which combines a probability that waves are breaking as function of wave heigth over water depth ratio H/h with a bore-type dissipation formulation similar to that by Battjes and Janssen (1978). A drawback of such a formulation is that there is no ‘memory’ in the breaking process, and the amount of breaking instantly varies with the water depth (though the wave height itself does have a memory). For cases with bichromatic waves, or for long-period swell, this does not reflect reality enough: waves that start breaking do not instantly stop breaking once the water depth increases, but continue until some lower threshold is reached. This concept was captured in Dally’s (1992) wave-by-wave approach, where individual waves are tracked in a probabilistic setting. We have now implemented a similar formulation in XBeach, where the property that waves are breaking is tracked; it is switched on when H/h exceeds a first criterion; this property is propagated using an advection equation and when H/h gets below a second criterion breaking is switched off. This formulation can do two things the previous one can’t: maintain groupiness inside the surf zone and have a maximum of wave breaking in the trough after a steep bar, as was observed for instance in Arcilla et al’s (1994) test 1C. Obviously this has important consequences for the forcing of both long waves and mean currents. In our presentation we will show results of comparisons of both formulations. References. Arcilla, A.S., Roelvink, J.A., O'Connor, B.A. Reniers, A., and Jimenez. J.A. The Delta Flume '93 Experiment. Coastal Dynamics '94. Arcilla, Stive and Kraus (eds), ASCE, New York, pp. 488-502. Battjes, J.A. and J.P.F.M. Janssen, (1978), Energy loss and set-up due to breaking in random waves, Proc. 16th Int. Coastal Eng. Conf., Hamburg, vol. 1: 569-587. Dally, W.R. (1992) Random breaking waves: Field verification of a wave-by-wave algorithm for engineering application. Coastal Engineering, Volume 16, Issue 4, March 1992, Pages 369-397. Roelvink, Dano, Ad Reniers, Ap van Dongeren, Jaap van Thiel de Vries, Robert McCall, Jamie Lescinski. Modelling storm impacts on beaches, dunes and barrier islands, Coast. Eng. (2009), doi:10.1016/j.coastaleng.2009.08.006 Roelvink, J.A. Dissipation in random wave groups incident on a beach. Coastal Eng., 19 (1993) pp. 127-150.

Mechanism of spiral formation in heterogeneous discretized excitable media.

PubMed

Kinoshita, Shu-ichi; Iwamoto, Mayuko; Tateishi, Keita; Suematsu, Nobuhiko J; Ueyama, Daishin

2013-06-01

Spiral waves on excitable media strongly influence the functions of living systems in both a positive and negative way. The spiral formation mechanism has thus been one of the major themes in the field of reaction-diffusion systems. Although the widely believed origin of spiral waves is the interaction of traveling waves, the heterogeneity of an excitable medium has recently been suggested as a probable cause. We suggest one possible origin of spiral waves using a Belousov-Zhabotinsky reaction and a discretized FitzHugh-Nagumo model. The heterogeneity of the reaction field is shown to stochastically generate unidirectional sites, which can induce spiral waves. Furthermore, we found that the spiral wave vanished with only a small reduction in the excitability of the reaction field. These results reveal a gentle approach for controlling the appearance of a spiral wave on an excitable medium.

A Self-Consistent Model of the Interacting Ring Current Ions and Electromagnetic Ion Cyclotron Waves, Initial Results: Waves and Precipitating Fluxes

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Gamayunov, K. V.; Jordanova, V. K.; Krivorutsky, E. N.

2002-01-01

Initial results from a newly developed model of the interacting ring current ions and ion cyclotron waves are presented. The model is based on the system of two kinetic equations: one equation describes the ring current ion dynamics, and another equation describes wave evolution. The system gives a self-consistent description of the ring current ions and ion cyclotron waves in a quasilinear approach. These equations for the ion phase space distribution function and for the wave power spectral density were solved on aglobal magnetospheric scale undernonsteady state conditions during the 2-5 May 1998 storm. The structure and dynamics of the ring current proton precipitating flux regions and the ion cyclotron wave-active zones during extreme geomagnetic disturbances on 4 May 1998 are presented and discussed in detail.

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.

Implementation of the vortex force formalism in the coupled ocean-atmosphere-wave-sediment transport (COAWST) modeling system for inner shelf and surf zone applications

NASA Astrophysics Data System (ADS)

Kumar, Nirnimesh; Voulgaris, George; Warner, John C.; Olabarrieta, Maitane

The coupled ocean-atmosphere-wave-sediment transport modeling system (COAWST) enables simulations that integrate oceanic, atmospheric, wave and morphological processes in the coastal ocean. Within the modeling system, the three-dimensional ocean circulation module (ROMS) is coupled with the wave generation and propagation model (SWAN) to allow full integration of the effect of waves on circulation and vice versa. The existing wave-current coupling component utilizes a depth dependent radiation stress approach. In here we present a new approach that uses the vortex force formalism. The formulation adopted and the various parameterizations used in the model as well as their numerical implementation are presented in detail. The performance of the new system is examined through the presentation of four test cases. These include obliquely incident waves on a synthetic planar beach and a natural barred beach (DUCK' 94); normal incident waves on a nearshore barred morphology with rip channels; and wave-induced mean flows outside the surf zone at the Martha's Vineyard Coastal Observatory (MVCO). Model results from the planar beach case show good agreement with depth-averaged analytical solutions and with theoretical flow structures. Simulation results for the DUCK' 94 experiment agree closely with measured profiles of cross-shore and longshore velocity data from Garcez Faria et al. (1998, 2000). Diagnostic simulations showed that the nonlinear processes of wave roller generation and wave-induced mixing are important for the accurate simulation of surf zone flows. It is further recommended that a more realistic approach for determining the contribution of wave rollers and breaking induced turbulent mixing can be formulated using non-dimensional parameters which are functions of local wave parameters and the beach slope. Dominant terms in the cross-shore momentum balance are found to be the quasi-static pressure gradient and breaking acceleration. In the alongshore direction, bottom stress, breaking acceleration, horizontal advection and horizontal vortex forces dominate the momentum balance. The simulation results for the bar/rip channel morphology case clearly show the ability of the modeling system to reproduce horizontal and vertical circulation patterns similar to those found in laboratory studies and to numerical simulations using the radiation stress representation. The vortex force term is found to be more important at locations where strong flow vorticity interacts with the wave-induced Stokes flow field. Outside the surf zone, the three-dimensional model simulations of wave-induced flows for non-breaking waves closely agree with flow observations from MVCO, with the vertical structure of the simulated flow varying as a function of the vertical viscosity as demonstrated by Lentz et al. (2008).

The effects of core-reflected waves on finite fault inversions with teleseismic body wave data

NASA Astrophysics Data System (ADS)

Qian, Yunyi; Ni, Sidao; Wei, Shengji; Almeida, Rafael; Zhang, Han

2017-11-01

Teleseismic body waves are essential for imaging rupture processes of large earthquakes. Earthquake source parameters are usually characterized by waveform analyses such as finite fault inversions using only turning (direct) P and SH waves without considering the reflected phases from the core-mantle boundary (CMB). However, core-reflected waves such as ScS usually have amplitudes comparable to direct S waves due to the total reflection from the CMB and might interfere with the S waves used for inversion, especially at large epicentral distances for long duration earthquakes. In order to understand how core-reflected waves affect teleseismic body wave inversion results, we develop a procedure named Multitel3 to compute Green's functions that contain turning waves (direct P, pP, sP, direct S, sS and reverberations in the crust) and core-reflected waves (PcP, pPcP, sPcP, ScS, sScS and associated reflected phases from the CMB). This ray-based method can efficiently generate synthetic seismograms for turning and core-reflected waves independently, with the flexibility to take into account the 3-D Earth structure effect on the timing between these phases. The performance of this approach is assessed through a series of numerical inversion tests on synthetic waveforms of the 2008 Mw7.9 Wenchuan earthquake and the 2015 Mw7.8 Nepal earthquake. We also compare this improved method with the turning-wave only inversions and explore the stability of the new procedure when there are uncertainties in a priori information (such as fault geometry and epicentre location) or arrival time of core-reflected phases. Finally, a finite fault inversion of the 2005 Mw8.7 Nias-Simeulue earthquake is carried out using the improved Green's functions. Using enhanced Green's functions yields better inversion results as expected. While the finite source inversion with conventional P and SH waves is able to recover large-scale characteristics of the earthquake source, by adding PcP and ScS phases, the inverted slip model and moment rate function better match previous results incorporating field observations, geodetic and seismic data.

Spherical shock waves in general relativity

NASA Astrophysics Data System (ADS)

Nutku, Y.

1991-11-01

We present the metric appropriate to a spherical shock wave in the framework of general relativity. This is a Petrov type-N vacuum solution of the Einstein field equations where the metric is continuous across the shock and the Riemann tensor suffers a step-function discontinuity. Spherical gravitational waves are described by type-N Robinson-Trautman metrics. However, for shock waves the Robinson-Trautman solutions are unacceptable because the metric becomes discontinuous in the Robinson-Trautman coordinate system. Other coordinate systems that have so far been introduced for describing Robinson-Trautman solutions also suffer from the same defect. We shall present the C0-form of the metric appropriate to spherical shock waves using Penrose's approach of identification with warp. Further extensions of Penrose's method yield accelerating, as well as coupled electromagnetic-gravitational shock-wave solutions.

Explicit solutions from eigenfunction symmetry of the Korteweg-de Vries equation.

PubMed

Hu, Xiao-Rui; Lou, Sen-Yue; Chen, Yong

2012-05-01

In nonlinear science, it is very difficult to find exact interaction solutions among solitons and other kinds of complicated waves such as cnoidal waves and Painlevé waves. Actually, even if for the most well-known prototypical models such as the Kortewet-de Vries (KdV) equation and the Kadomtsev-Petviashvili (KP) equation, this kind of problem has not yet been solved. In this paper, the explicit analytic interaction solutions between solitary waves and cnoidal waves are obtained through the localization procedure of nonlocal symmetries which are related to Darboux transformation for the well-known KdV equation. The same approach also yields some other types of interaction solutions among different types of solutions such as solitary waves, rational solutions, Bessel function solutions, and/or general Painlevé II solutions.

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.

Travelling wave solutions and conservation laws for the Korteweg-de Vries-Bejamin-Bona-Mahony equation

NASA Astrophysics Data System (ADS)

Simbanefayi, Innocent; Khalique, Chaudry Masood

2018-03-01

In this work we study the Korteweg-de Vries-Benjamin-Bona-Mahony (KdV-BBM) equation, which describes the two-way propagation of waves. Using Lie symmetry method together with Jacobi elliptic function expansion and Kudryashov methods we construct its travelling wave solutions. Also, we derive conservation laws of the KdV-BBM equation using the variational derivative approach. In this method, we begin by computing second-order multipliers for the KdV-BBM equation followed by a derivation of the respective conservation laws for each multiplier.

An analysis of Isgur-Wise function of heavy-light mesons within a higher dimensional potential model approach

NASA Astrophysics Data System (ADS)

Roy, Sabyasachi; Choudhury, D. K.

2014-03-01

Nambu-Goto action for bosonic string predicts the quark-antiquark potential to be V(r) = -γ/r + σr + μ0. The coefficient γ = π(d - 2)/24 is the Lüscher coefficient of the Lüscher term 7/r, which depends upon the space-time dimension 'd'. Very recently, we have developed meson wave functions in higher dimension with this potential from higher dimensional Schrodinger equation by applying quantum mechanical perturbation technique with both Lüscher term as parent and as perturbation. In this letter, we analyze Isgur-Wise function for heavy-light mesons using these wave functions in higher dimension and make a comparative study on the status of the perturbation technique in both the cases.

Soliton-cnoidal interactional wave solutions for the reduced Maxwell-Bloch equations

NASA Astrophysics Data System (ADS)

Huang, Li-Li; Qiao, Zhi-Jun; Chen, Yong

2018-02-01

Based on nonlocal symmetry method, localized excitations and interactional solutions are investigated for the reduced Maxwell-Bloch equations. The nonlocal symmetries of the reduced Maxwell-Bloch equations are obtained by the truncated Painleve expansion approach and the Mobious invariant property. The nonlocal symmetries are localized to a prolonged system by introducing suitable auxiliary dependent variables. The extended system can be closed and a novel Lie point symmetry system is constructed. By solving the initial value problems, a new type of finite symmetry transformations is obtained to derive periodic waves, Ma breathers and breathers travelling on the background of periodic line waves. Then rich exact interactional solutions are derived between solitary waves and other waves including cnoidal waves, rational waves, Painleve waves, and periodic waves through similarity reductions. In particular, several new types of localized excitations including rogue waves are found, which stem from the arbitrary function generated in the process of similarity reduction. By computer numerical simulation, the dynamics of these localized excitations and interactional solutions are discussed, which exhibit meaningful structures.

Combination of complex momentum representation and Green's function methods in relativistic mean-field theory

NASA Astrophysics Data System (ADS)

Shi, Min; Niu, Zhong-Ming; Liang, Haozhao

2018-06-01

We have combined the complex momentum representation method with the Green's function method in the relativistic mean-field framework to establish the RMF-CMR-GF approach. This new approach is applied to study the halo structure of 74Ca. All the continuum level density of concerned resonant states are calculated accurately without introducing any unphysical parameters, and they are independent of the choice of integral contour. The important single-particle wave functions and densities for the halo phenomenon in 74Ca are discussed in detail.

Application of magnetoelastic materials in spatiotemporally modulated phononic crystals for nonreciprocal wave propagation

NASA Astrophysics Data System (ADS)

Ansari, M. H.; Attarzadeh, M. A.; Nouh, M.; Karami, M. Amin

2018-01-01

In this paper, a physical platform is proposed to change the properties of phononic crystals in space and time in order to achieve nonreciprocal wave transmission. The utilization of magnetoelastic materials in elastic phononic systems is studied. Material properties of magnetoelastic materials change significantly with an external magnetic field. This property is used to design systems with a desired wave propagation pattern. The properties of the magnetoelastic medium are changed in a traveling wave pattern, which changes in both space and time. A phononic crystal with such a modulation exhibits one-way wave propagation behavior. An extended transfer matrix method (TMM) is developed to model a system with time varying properties. The stop band and the pass band of a reciprocal and a nonreciprocal bar are found using this method. The TMM is used to find the transfer function of a magnetoelastic bar. The obtained results match those obtained via the theoretical Floquet-Bloch approach and numerical simulations. It is shown that the stop band in the transfer function of a system with temporal varying property for the forward wave propagation is different from the same in the backward wave propagation. The proposed configuration enables the physical realization of a class of smart structures that incorporates nonreciprocal wave propagation.

Study of diatomic molecules. 2: Intensities. [optical emission spectroscopy of ScO

NASA Technical Reports Server (NTRS)

Femenias, J. L.

1978-01-01

The theory of perturbations, giving the diatomic effective Hamiltonian, is used for calculating actual molecular wave functions and intensity factors involved in transitions between states arising from Hund's coupling cases a,b, intermediate a-b, and c tendency. The Herman and Wallis corrections are derived, without any knowledge of the analytical expressions of the wave functions, and generalized to transitions between electronic states with whatever symmetry and multiplicity. A general method for studying perturbed intensities is presented using primarily modern spectroscopic numerical approaches. The method is used in the study of the ScO optical emission spectrum.

Transfer matrix approach to the persistent current in quantum rings: Application to hybrid normal-superconducting rings

NASA Astrophysics Data System (ADS)

Nava, Andrea; Giuliano, Rosa; Campagnano, Gabriele; Giuliano, Domenico

2016-11-01

Using the properties of the transfer matrix of one-dimensional quantum mechanical systems, we derive an exact formula for the persistent current across a quantum mechanical ring pierced by a magnetic flux Φ as a single integral of a known function of the system's parameters. Our approach provides exact results at zero temperature, which can be readily extended to a finite temperature T . We apply our technique to exactly compute the persistent current through p -wave and s -wave superconducting-normal hybrid rings, deriving full plots of the current as a function of the applied flux at various system's scales. Doing so, we recover at once a number of effects such as the crossover in the current periodicity on increasing the size of the ring and the signature of the topological phase transition in the p -wave case. In the limit of a large ring size, resorting to a systematic expansion in inverse powers of the ring length, we derive exact analytic closed-form formulas, applicable to a number of cases of physical interest.

Empirical transfer functions: Application to the determination of outermost core velocity structure using teleseismic SmKS phases

NASA Astrophysics Data System (ADS)

Eaton, D. W.; Alexandrakis, C.

2007-05-01

Teleseismic SmKS waves propagate as S-waves in the mantle and compressional (K) waves in the core, with m-1 underside bounce points at the core-mantle boundary. For long-period or broadband recordings at epicentral distances of 115-135°, higher-order SmKS waves (3 ≤ m < ∞) are not often discernible as distinct pulses. Instead, they are typically manifested as a weakly dispersive waveform that lags SKKS by ~ 12-32s. In a ray-theoretical representation of this process, there is a strong geometrical similarity between the coalescence of SmKS turning waves to form a composite arrival and the interference of mantle S waves to form teleseismic Love waves. SmKS waves can thus be viewed as a type of pseudo-interface wave, the dispersive properties of which depend strongly on the fine-scale velocity structure of the outermost core. In order to analyze SmKS arrivals, we have developed an empirical transfer-function (ETF) technique that uses SKKS as a reference phase. An ETF is a wave-shaping filter that transforms the observed SKKS pulse into the observed SmKS pulse. We obtain this filter by windowing the respective pulses and applying frequency- domain Wiener deconvolution. Each ETF contains SmKS-SKKS differential arrival-time, phase-shift and relative-amplitude information; it also implicitly removes the source-time function and instrument response, thus facilitating the merging of results from different stations and events. Here, we apply this approach to global observations of SmKS phases and invert the results to yield a new velocity model for the outermost core region.

The Impact of a Comprehensive Microfinance Intervention on Depression Levels of AIDS-Orphaned Children in Uganda. *

PubMed Central

Ssewamala, Fred M.; Neilands, Torsten B.; Waldfogel, Jane; Ismayilova, Leyla

2011-01-01

Purpose By adversely affecting family functioning and stability, poverty constitutes an important risk factor for children’s poor mental health functioning. This study examines the impact of a comprehensive microfinance intervention, designed to reduce the risk of poverty, on depression among AIDS-orphaned youth. Methods Children from 15 comparable primary schools in Rakai District of Uganda, one of those hardest hit by HIVAIDS in the country, were randomly assigned to control (n=148) or treatment (n=138) conditions. Children in the treatment condition received a comprehensive microfinance intervention comprising of matched savings accounts, financial management workshops, and mentorship. This was in addition to traditional services provided for all school-going orphaned adolescents (counseling and school supplies). Data were collected at wave 1 (baseline), wave 2 (10-months postintervention), and wave 3 (20-months post-intervention). We used multilevel growth models to examine the trajectory of depression in treatment and control conditions, measured using Children’s Depression Inventory (Kovacs). Results Children in the treatment group exhibited a significant decrease in depression whereas their control group counterparts showed no change in depression. Conclusion The findings indicate that over and above traditional psychosocial approaches used to address mental health functioning among orphaned children in sub-Saharan Africa, incorporating poverty alleviation-focused approaches, such as this comprehensive microfinance intervention, has the potential to improve psychosocial functioning of these children. PMID:22443837

Linear diffusion-wave channel routing using a discrete Hayami convolution method

Treesearch

Li Wang; Joan Q. Wu; William J. Elliot; Fritz R. Feidler; Sergey Lapin

2014-01-01

The convolution of an input with a response function has been widely used in hydrology as a means to solve various problems analytically. Due to the high computation demand in solving the functions using numerical integration, it is often advantageous to use the discrete convolution instead of the integration of the continuous functions. This approach greatly reduces...

The Effect of Self-Reported and Performance-Based Functional Impairment on Future Hospital Costs of Community-Dwelling Older Persons

ERIC Educational Resources Information Center

Reuben, David B.; Seeman, Teresa E.; Keeler, Emmett; Hayes, Risa P.; Bowman, Lee; Sewall, Ase; Hirsch, Susan H.; Wallace, Robert B.; Guralnik, Jack M.

2004-01-01

Purpose: We determined the prognostic value of self-reported and performance-based measurement of function, including functional transitions and combining different measurement approaches, on utilization. Design and Methods: Our cohort study used the 6th, 7th, and 10th waves of three sites of the Established Populations for Epidemiologic Studies…

Monte Carlo wave-function description of losses in a one-dimensional Bose gas and cooling to the ground state by quantum feedback

NASA Astrophysics Data System (ADS)

Schemmer, M.; Johnson, A.; Photopoulos, R.; Bouchoule, I.

2017-04-01

The effect of atom losses on a homogeneous one-dimensional Bose gas lying within the quasicondensate regime is investigated using a Monte Carlo wave-function approach. The evolution of the system is calculated, conditioned by the loss sequence, namely, the times of individual losses and the position of the removed atoms. We describe the gas within the linearized Bogoliubov approach. For each mode, we find that, for a given quantum trajectory, the state of the system converges towards a coherent state, i.e., the ground state, displaced in phase space. We show that, provided losses are recorded with a temporal and spatially resolved detector, quantum feedback can be implemented and cooling to the ground state of one or several modes can be realized.

Excitonic Order and Superconductivity in the Two-Orbital Hubbard Model: Variational Cluster Approach

NASA Astrophysics Data System (ADS)

Fujiuchi, Ryo; Sugimoto, Koudai; Ohta, Yukinori

2018-06-01

Using the variational cluster approach based on the self-energy functional theory, we study the possible occurrence of excitonic order and superconductivity in the two-orbital Hubbard model with intra- and inter-orbital Coulomb interactions. It is known that an antiferromagnetic Mott insulator state appears in the regime of strong intra-orbital interaction, a band insulator state appears in the regime of strong inter-orbital interaction, and an excitonic insulator state appears between them. In addition to these states, we find that the s±-wave superconducting state appears in the small-correlation regime, and the dx2 - y2-wave superconducting state appears on the boundary of the antiferromagnetic Mott insulator state. We calculate the single-particle spectral function of the model and compare the band gap formation due to the superconducting and excitonic orders.

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

Hégely, Bence; Nagy, Péter R.; Kállay, Mihály, E-mail: kallay@mail.bme.hu

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

Variational treatment of electron-polyatomic-molecule scattering calculations using adaptive overset grids

NASA Astrophysics Data System (ADS)

Greenman, Loren; Lucchese, Robert R.; McCurdy, C. William

2017-11-01

The complex Kohn variational method for electron-polyatomic-molecule scattering is formulated using an overset-grid representation of the scattering wave function. The overset grid consists of a central grid and multiple dense atom-centered subgrids that allow the simultaneous spherical expansions of the wave function about multiple centers. Scattering boundary conditions are enforced by using a basis formed by the repeated application of the free-particle Green's function and potential Ĝ0+V ̂ on the overset grid in a Born-Arnoldi solution of the working equations. The theory is shown to be equivalent to a specific Padé approximant to the T matrix and has rapid convergence properties, in both the number of numerical basis functions employed and the number of partial waves employed in the spherical expansions. The method is demonstrated in calculations on methane and CF4 in the static-exchange approximation and compared in detail with calculations performed with the numerical Schwinger variational approach based on single-center expansions. An efficient procedure for operating with the free-particle Green's function and exchange operators (to which no approximation is made) is also described.

Deformation dependence of proton decay rates and angular distributions in a time-dependent approach

NASA Astrophysics Data System (ADS)

Carjan, N.; Talou, P.; Strottman, D.

1998-12-01

A new, time-dependent, approach to proton decay from axially symmetric deformed nuclei is presented. The two-dimensional time-dependent Schrödinger equation for the interaction between the emitted proton and the rest of the nucleus is solved numerically for well defined initial quasi-stationary proton states. Applied to the hypothetical proton emission from excited states in deformed nuclei of 208Pb, this approach shows that the problem cannot be reduced to one dimension. There are in general more than one directions of emission with wide distributions around them, determined mainly by the quantum numbers of the initial wave function rather than by the potential landscape. The distribution of the "residual" angular momentum and its variation in time play a major role in the determination of the decay rate. In a couple of cases, no exponential decay was found during the calculated time evolution (2×10-21 sec) although more than half of the wave function escaped during that time.

The wave-based substructuring approach for the efficient description of interface dynamics in substructuring

NASA Astrophysics Data System (ADS)

Donders, S.; Pluymers, B.; Ragnarsson, P.; Hadjit, R.; Desmet, W.

2010-04-01

In the vehicle design process, design decisions are more and more based on virtual prototypes. Due to competitive and regulatory pressure, vehicle manufacturers are forced to improve product quality, to reduce time-to-market and to launch an increasing number of design variants on the global market. To speed up the design iteration process, substructuring and component mode synthesis (CMS) methods are commonly used, involving the analysis of substructure models and the synthesis of the substructure analysis results. Substructuring and CMS enable efficient decentralized collaboration across departments and allow to benefit from the availability of parallel computing environments. However, traditional CMS methods become prohibitively inefficient when substructures are coupled along large interfaces, i.e. with a large number of degrees of freedom (DOFs) at the interface between substructures. The reason is that the analysis of substructures involves the calculation of a number of enrichment vectors, one for each interface degree of freedom (DOF). Since large interfaces are common in vehicles (e.g. the continuous line connections to connect the body with the windshield, roof or floor), this interface bottleneck poses a clear limitation in the vehicle noise, vibration and harshness (NVH) design process. Therefore there is a need to describe the interface dynamics more efficiently. This paper presents a wave-based substructuring (WBS) approach, which allows reducing the interface representation between substructures in an assembly by expressing the interface DOFs in terms of a limited set of basis functions ("waves"). As the number of basis functions can be much lower than the number of interface DOFs, this greatly facilitates the substructure analysis procedure and results in faster design predictions. The waves are calculated once from a full nominal assembly analysis, but these nominal waves can be re-used for the assembly of modified components. The WBS approach thus enables efficient structural modification predictions of the global modes, so that efficient vibro-acoustic design modification, optimization and robust design become possible. The results show that wave-based substructuring offers a clear benefit for vehicle design modifications, by improving both the speed of component reduction processes and the efficiency and accuracy of design iteration predictions, as compared to conventional substructuring approaches.

Approaches to quantifying long-term continental shelf sediment transport with an example from the Northern California STRESS mid-shelf site

NASA Astrophysics Data System (ADS)

Harris, Courtney K.; Wiberg, Patricia L.

1997-09-01

Modeling shelf sediment transport rates and bed reworking depths is problematic when the wave and current forcing conditions are not precisely known, as is usually the case when long-term sedimentation patterns are of interest. Two approaches to modeling sediment transport under such circumstances are considered. The first relies on measured or simulated time series of flow conditions to drive model calculations. The second approach uses as model input probability distribution functions of bottom boundary layer flow conditions developed from wave and current measurements. Sediment transport rates, frequency of bed resuspension by waves and currents, and bed reworking calculated using the two methods are compared at the mid-shelf STRESS (Sediment TRansport on Shelves and Slopes) site on the northern California continental shelf. Current, wave and resuspension measurements at the site are used to generate model inputs and test model results. An 11-year record of bottom wave orbital velocity, calculated from surface wave spectra measured by the National Data Buoy Center (NDBC) Buoy 46013 and verified against bottom tripod measurements, is used to characterize the frequency and duration of wave-driven transport events and to estimate the joint probability distribution of wave orbital velocity and period. A 109-day record of hourly current measurements 10 m above bottom is used to estimate the probability distribution of bottom boundary layer current velocity at this site and to develop an auto-regressive model to simulate current velocities for times when direct measurements of currents are not available. Frequency of transport, the maximum volume of suspended sediment, and average flux calculated using measured wave and simulated current time series agree well with values calculated using measured time series. A probabilistic approach is more amenable to calculations over time scales longer than existing wave records, but it tends to underestimate net transport because it does not capture the episodic nature of transport events. Both methods enable estimates to be made of the uncertainty in transport quantities that arise from an incomplete knowledge of the specific timing of wave and current conditions. 1997 Elsevier Science Ltd

Plasticity of brain wave network interactions and evolution across physiologic states

PubMed Central

Liu, Kang K. L.; Bartsch, Ronny P.; Lin, Aijing; Mantegna, Rosario N.; Ivanov, Plamen Ch.

2015-01-01

Neural plasticity transcends a range of spatio-temporal scales and serves as the basis of various brain activities and physiologic functions. At the microscopic level, it enables the emergence of brain waves with complex temporal dynamics. At the macroscopic level, presence and dominance of specific brain waves is associated with important brain functions. The role of neural plasticity at different levels in generating distinct brain rhythms and how brain rhythms communicate with each other across brain areas to generate physiologic states and functions remains not understood. Here we perform an empirical exploration of neural plasticity at the level of brain wave network interactions representing dynamical communications within and between different brain areas in the frequency domain. We introduce the concept of time delay stability (TDS) to quantify coordinated bursts in the activity of brain waves, and we employ a system-wide Network Physiology integrative approach to probe the network of coordinated brain wave activations and its evolution across physiologic states. We find an association between network structure and physiologic states. We uncover a hierarchical reorganization in the brain wave networks in response to changes in physiologic state, indicating new aspects of neural plasticity at the integrated level. Globally, we find that the entire brain network undergoes a pronounced transition from low connectivity in Deep Sleep and REM to high connectivity in Light Sleep and Wake. In contrast, we find that locally, different brain areas exhibit different network dynamics of brain wave interactions to achieve differentiation in function during different sleep stages. Moreover, our analyses indicate that plasticity also emerges in frequency-specific networks, which represent interactions across brain locations mediated through a specific frequency band. Comparing frequency-specific networks within the same physiologic state we find very different degree of network connectivity and link strength, while at the same time each frequency-specific network is characterized by a different signature pattern of sleep-stage stratification, reflecting a remarkable flexibility in response to change in physiologic state. These new aspects of neural plasticity demonstrate that in addition to dominant brain waves, the network of brain wave interactions is a previously unrecognized hallmark of physiologic state and function. PMID:26578891

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.

Ambient Noise Interferometry and Surface Wave Array Tomography: Promises and Problems

NASA Astrophysics Data System (ADS)

van der Hilst, R. D.; Yao, H.; de Hoop, M. V.; Campman, X.; Solna, K.

2008-12-01

In the late 1990ies most seismologists would have frowned at the possibility of doing high-resolution surface wave tomography with noise instead of with signal associated with ballistic source-receiver propagation. Some may still do, but surface wave tomography with Green's functions estimated through ambient noise interferometry ('sourceless tomography') has transformed from a curiosity into one of the (almost) standard tools for analysis of data from dense seismograph arrays. Indeed, spectacular applications of ambient noise surface wave tomography have recently been published. For example, application to data from arrays in SE Tibet revealed structures in the crust beneath the Tibetan plateau that could not be resolved by traditional tomography (Yao et al., GJI, 2006, 2008). While the approach is conceptually simple, in application the proverbial devil is in the detail. Full reconstruction of the Green's function requires that the wavefields used are diffusive and that ambient noise energy is evenly distributed in the spatial dimensions of interest. In the field, these conditions are not usually met, and (frequency dependent) non-uniformity of the noise sources may lead to incomplete reconstruction of the Green's function. Furthermore, ambient noise distributions can be time-dependent, and seasonal variations have been documented. Naive use of empirical Green's functions may produce (unknown) bias in the tomographic models. The degrading effect on EGFs of the directionality of noise distribution forms particular challenges for applications beyond isotropic surface wave inversions, such as inversions for (azimuthal) anisotropy and attempts to use higher modes (or body waves). Incomplete Green's function reconstruction can (probably) not be prevented, but it may be possible to reduce the problem and - at least - understand the degree of incomplete reconstruction and prevent it from degrading the tomographic model. We will present examples of Rayleigh wave inversions and discuss strategies to mitigate effects of incomplete Green's function reconstruction on tomographic images.

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.

Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in a full-symmetry approach

NASA Astrophysics Data System (ADS)

Lapierre, David; Alijah, Alexander; Kochanov, Roman; Kokoouline, Viatcheslav; Tyuterev, Vladimir

2016-10-01

Energies and lifetimes (widths) of vibrational states above the lowest dissociation limit of O163 were determined using a previously developed efficient approach, which combines hyperspherical coordinates and a complex absorbing potential. The calculations are based on a recently computed potential energy surface of ozone determined with a spectroscopic accuracy [Tyuterev et al., J. Chem. Phys. 139, 134307 (2013), 10.1063/1.4821638]. The effect of permutational symmetry on rovibrational dynamics and the density of resonance states in O3 is discussed in detail. Correspondence between quantum numbers appropriate for short- and long-range parts of wave functions of the rovibrational continuum is established. It is shown, by symmetry arguments, that the allowed purely vibrational (J =0 ) levels of O163 and O183, both made of bosons with zero nuclear spin, cannot dissociate on the ground-state potential energy surface. Energies and wave functions of bound states of the ozone isotopologue O163 with rotational angular momentum J =0 and 1 up to the dissociation threshold were also computed. For bound levels, good agreement with experimental energies is found: The rms deviation between observed and calculated vibrational energies is 1 cm-1. Rotational constants were determined and used for a simple identification of vibrational modes of calculated levels.

Improved calculation of the gravitational wave spectrum from kinks on infinite cosmic strings

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

Matsui, Yuka; Horiguchi, Koichiro; Nitta, Daisuke

2016-11-01

Gravitational wave observations provide unique opportunities to search for cosmic strings. One of the strongest sources of gravitational waves is discontinuities of cosmic strings, called kinks, which are generated at points of intersection. Kinks on infinite strings are known to generate a gravitational wave background over a wide range of frequencies. In this paper, we calculate the spectrum of the gravitational wave background by numerically solving the evolution equation for the distribution function of the kink sharpness. We find that the number of kinks for small sharpness is larger than the analytical estimate used in a previous work, which makesmore » a difference in the spectral shape. Our numerical approach enables us to make a more precise prediction on the spectral amplitude for future gravitational wave experiments.« less

Spherical shock waves in general relativity

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

Nutku, Y.

1991-11-15

We present the metric appropriate to a spherical shock wave in the framework of general relativity. This is a Petrov type-{ital N} vacuum solution of the Einstein field equations where the metric is continuous across the shock and the Riemann tensor suffers a step-function discontinuity. Spherical gravitational waves are described by type-{ital N} Robinson-Trautman metrics. However, for shock waves the Robinson-Trautman solutions are unacceptable because the metric becomes discontinuous in the Robinson-Trautman coordinate system. Other coordinate systems that have so far been introduced for describing Robinson-Trautman solutions also suffer from the same defect. We shall present the {ital C}{sup 0}-formmore » of the metric appropriate to spherical shock waves using Penrose's approach of identification with warp. Further extensions of Penrose's method yield accelerating, as well as coupled electromagnetic-gravitational shock-wave solutions.« less

Holonomy, quantum mechanics and the signal-tuned Gabor approach to the striate cortex

NASA Astrophysics Data System (ADS)

Torreão, José R. A.

2016-02-01

It has been suggested that an appeal to holographic and quantum properties will be ultimately required for the understanding of higher brain functions. On the other hand, successful quantum-like approaches to cognitive and behavioral processes bear witness to the usefulness of quantum prescriptions as applied to the analysis of complex non-quantum systems. Here, we show that the signal-tuned Gabor approach for modeling cortical neurons, although not based on quantum assumptions, also admits a quantum-like interpretation. Recently, the equation of motion for the signal-tuned complex cell response has been derived and proven equivalent to the Schrödinger equation for a dissipative quantum system whose solutions come under two guises: as plane-wave and Airy-packet responses. By interpreting the squared magnitude of the plane-wave solution as a probability density, in accordance with the quantum mechanics prescription, we arrive at a Poisson spiking probability — a common model of neuronal response — while spike propagation can be described by the Airy-packet solution. The signal-tuned approach is also proven consistent with holonomic brain theories, as it is based on Gabor functions which provide a holographic representation of the cell’s input, in the sense that any restricted subset of these functions still allows stimulus reconstruction.

Seismic velocity structure of the crust and upper mantle beneath the Texas-Gulf of Mexico margin from joint inversion of Ps and Sp receiver functions and surface wave dispersion

NASA Astrophysics Data System (ADS)

Agrawal, M.; Pulliam, J.; Sen, M. K.

2013-12-01

The seismic structure beneath Texas Gulf Coast Plain (GCP) is determined via velocity analysis of stacked common conversion point (CCP) Ps and Sp receiver functions and surface wave dispersion. The GCP is a portion of a ocean-continental transition zone, or 'passive margin', where seismic imaging of lithospheric Earth structure via passive seismic techniques has been rare. Seismic data from a temporary array of 22 broadband stations, spaced 16-20 km apart, on a ~380-km-long profile from Matagorda Island, a barrier island in the Gulf of Mexico, to Johnson City, Texas were employed to construct a coherent image of the crust and uppermost mantle. CCP stacking was applied to data from teleseismic earthquakes to enhance the signal-to-noise ratios of converted phases, such as Ps phases. An inaccurate velocity model, used for time-to-depth conversion in CCP stacking, may produce higher errors, especially in a region of substantial lateral velocity variations. An accurate velocity model is therefore essential to constructing high quality depth-domain images. To find accurate velocity P- and S-wave models, we applied a joint modeling approach that searches for best-fitting models via simulated annealing. This joint inversion approach, which we call 'multi objective optimization in seismology' (MOOS), simultaneously models Ps receiver functions, Sp receiver functions and group velocity surface wave dispersion curves after assigning relative weights for each objective function. Weights are computed from the standard deviations of the data. Statistical tools such as the posterior parameter correlation matrix and posterior probability density (PPD) function are used to evaluate the constraints that each data type places on model parameters. They allow us to identify portions of the model that are well or poorly constrained.

A harmonic analysis approach to joint inversion of P-receiver functions and wave dispersion data in high dense seismic profiles

NASA Astrophysics Data System (ADS)

Molina-Aguilera, A.; Mancilla, F. D. L.; Julià, J.; Morales, J.

2017-12-01

Joint inversion techniques of P-receiver functions and wave dispersion data implicitly assume an isotropic radial stratified earth. The conventional approach invert stacked radial component receiver functions from different back-azimuths to obtain a laterally homogeneous single-velocity model. However, in the presence of strong lateral heterogeneities as anisotropic layers and/or dipping interfaces, receiver functions are considerably perturbed and both the radial and transverse components exhibit back azimuthal dependences. Harmonic analysis methods exploit these azimuthal periodicities to separate the effects due to the isotropic flat-layered structure from those effects caused by lateral heterogeneities. We implement a harmonic analysis method based on radial and transverse receiver functions components and carry out a synthetic study to illuminate the capabilities of the method in isolating the isotropic flat-layered part of receiver functions and constrain the geometry and strength of lateral heterogeneities. The independent of the baz P receiver function are jointly inverted with phase and group dispersion curves using a linearized inversion procedure. We apply this approach to high dense seismic profiles ( 2 km inter-station distance, see figure) located in the central Betics (western Mediterranean region), a region which has experienced complex geodynamic processes and exhibit strong variations in Moho topography. The technique presented here is robust and can be applied systematically to construct a 3-D model of the crust and uppermost mantle across large networks.

Incorporating Love- and Rayleigh-wave magnitudes, unequal earthquake and explosion variance assumptions and interstation complexity for improved event screening

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

Anderson, Dale N; Bonner, Jessie L; Stroujkova, Anastasia

Our objective is to improve seismic event screening using the properties of surface waves, We are accomplishing this through (1) the development of a Love-wave magnitude formula that is complementary to the Russell (2006) formula for Rayleigh waves and (2) quantifying differences in complexities and magnitude variances for earthquake and explosion-generated surface waves. We have applied the M{sub s} (VMAX) analysis (Bonner et al., 2006) using both Love and Rayleigh waves to events in the Middle East and Korean Peninsula, For the Middle East dataset consisting of approximately 100 events, the Love M{sub s} (VMAX) is greater than the Rayleighmore » M{sub s} (VMAX) estimated for individual stations for the majority of the events and azimuths, with the exception of the measurements for the smaller events from European stations to the northeast. It is unclear whether these smaller events suffer from magnitude bias for the Love waves or whether the paths, which include the Caspian and Mediterranean, have variable attenuation for Love and Rayleigh waves. For the Korean Peninsula, we have estimated Rayleigh- and Love-wave magnitudes for 31 earthquakes and two nuclear explosions, including the 25 May 2009 event. For 25 of the earthquakes, the network-averaged Love-wave magnitude is larger than the Rayleigh-wave estimate. For the 2009 nuclear explosion, the Love-wave M{sub s} (VMAX) was 3.1 while the Rayleigh-wave magnitude was 3.6. We are also utilizing the potential of observed variances in M{sub s} estimates that differ significantly in earthquake and explosion populations. We have considered two possible methods for incorporating unequal variances into the discrimination problem and compared the performance of various approaches on a population of 73 western United States earthquakes and 131 Nevada Test Site explosions. The approach proposes replacing the M{sub s} component by M{sub s} + a* {sigma}, where {sigma} denotes the interstation standard deviation obtained from the stations in the sample that produced the M{sub s} value. We replace the usual linear discriminant a* M{sub s}+b*{sub m{sub b}} with a* M{sub s}+b*{sub m{sub b}} + C*{sigma}. In the second approach, we estimate the optimum hybrid linear-quadratic discriminant function resulting from the unequal variance assumption. We observed slight improvement for the discriminant functions resulting from the theoretical interpretations of the unequal variance function. We have also studied the complexity of the ''magnitude spectra'' at each station. Our hypothesis is that explosion spectra should have fewer focal mechanism-produced complexities in the magnitude spectra than earthquakes. We have developed an intrastation ''complexity'' metric {Delta}M{sub s}, where {Delta}M{sub s} = M{sub s}(i)-M{sub s}(i+1) at periods, i, which are between 9 and 25 seconds. The complexity by itself has discriminating power but does not add substantially to the conditional hybrid discriminant that incorporates the differing spreads of the earthquake and explosion standard deviations.« less

Spin-Multiplet Components and Energy Splittings by Multistate Density Functional Theory.

PubMed

Grofe, Adam; Chen, Xin; Liu, Wenjian; Gao, Jiali

2017-10-05

Kohn-Sham density functional theory has been tremendously successful in chemistry and physics. Yet, it is unable to describe the energy degeneracy of spin-multiplet components with any approximate functional. This work features two contributions. (1) We present a multistate density functional theory (MSDFT) to represent spin-multiplet components and to determine multiplet energies. MSDFT is a hybrid approach, taking advantage of both wave function theory and density functional theory. Thus, the wave functions, electron densities and energy density-functionals for ground and excited states and for different components are treated on the same footing. The method is illustrated on valence excitations of atoms and molecules. (2) Importantly, a key result is that for cases in which the high-spin components can be determined separately by Kohn-Sham density functional theory, the transition density functional in MSDFT (which describes electronic coupling) can be defined rigorously. The numerical results may be explored to design and optimize transition density functionals for configuration coupling in multiconfigurational DFT.

Study of transionospheric signal scintillation: Quasi- particle approach

NASA Astrophysics Data System (ADS)

Lyle, Ruthie D.

1998-07-01

A quasi-particle approach is applied to study amplitude scintillation of transionospheric signals caused by Bottomside Sinusoidal (BSS) irregularities. The quasi- particle method exploits wave-particle duality, viewing the wave as a distribution of quasi-particles. This is accomplished by transforming the autocorrelation of the wave function into a Wigner distribution function, which serves as a distribution of quasi-particles in the (/vec r,/ /vec k) phase space. The quasi-particle distribution at any instant of time represents the instantaneous state of the wave. Scattering of the signal by the ionospheric irregularities is equivalent to the evolution of the quasi-particle distribution, due to the collision of the quasi-particles with objects arising from the presence of the BSS irregularities. Subsequently, the perturbed quasi-particle distribution facilitates the computation of average space time propagation properties of the wave. Thus, the scintillation index S4 is determined. Incorporation of essential BSS features in the analysis is accomplished by analytically modeling the power spectrum of the BSS irregularities measured in-situ by the low orbiting Atmosphere-E (AE - E) Satellite. The effect of BSS irregularities on transionospheric signals has been studied. The numerical results agree well with multi-satellite scintillation observations made at Huancayo Peru in close time correspondence with BSS irregularities observed by the AE - E satellite over a few nights (December 8-11, 1979). During this period, the severity of the scintillation varied from moderate to intense, S4 = 0.1-0.8.

Tunable Nanowire Patterning Using Standing Surface Acoustic Waves

PubMed Central

Chen, Yuchao; Ding, Xiaoyun; Lin, Sz-Chin Steven; Yang, Shikuan; Huang, Po-Hsun; Nama, Nitesh; Zhao, Yanhui; Nawaz, Ahmad Ahsan; Guo, Feng; Wang, Wei; Gu, Yeyi; Mallouk, Thomas E.; Huang, Tony Jun

2014-01-01

Patterning of nanowires in a controllable, tunable manner is important for the fabrication of functional nanodevices. Here we present a simple approach for tunable nanowire patterning using standing surface acoustic waves (SSAW). This technique allows for the construction of large-scale nanowire arrays with well-controlled patterning geometry and spacing within 5 seconds. In this approach, SSAWs were generated by interdigital transducers (IDTs), which induced a periodic alternating current (AC) electric field on the piezoelectric substrate and consequently patterned metallic nanowires in suspension. The patterns could be deposited onto the substrate after the liquid evaporated. By controlling the distribution of the SSAW field, metallic nanowires were assembled into different patterns including parallel and perpendicular arrays. The spacing of the nanowire arrays could be tuned by controlling the frequency of the surface acoustic waves. Additionally, we observed 3D spark-shape nanowire patterns in the SSAW field. The SSAW-based nanowire-patterning technique presented here possesses several advantages over alternative patterning approaches, including high versatility, tunability, and efficiency, making it promising for device applications. PMID:23540330

Fully nonlocal inelastic scattering computations for spectroscopical transmission electron microscopy methods

NASA Astrophysics Data System (ADS)

Rusz, Ján; Lubk, Axel; Spiegelberg, Jakob; Tyutyunnikov, Dmitry

2017-12-01

The complex interplay of elastic and inelastic scattering amenable to different levels of approximation constitutes the major challenge for the computation and hence interpretation of TEM-based spectroscopical methods. The two major approaches to calculate inelastic scattering cross sections of fast electrons on crystals—Yoshioka-equations-based forward propagation and the reciprocal wave method—are founded in two conceptually differing schemes—a numerical forward integration of each inelastically scattered wave function, yielding the exit density matrix, and a computation of inelastic scattering matrix elements using elastically scattered initial and final states (double channeling). Here, we compare both approaches and show that the latter is computationally competitive to the former by exploiting analytical integration schemes over multiple excited states. Moreover, we show how to include full nonlocality of the inelastic scattering event, neglected in the forward propagation approaches, at no additional computing costs in the reciprocal wave method. Detailed simulations show in some cases significant errors due to the z -locality approximation and hence pitfalls in the interpretation of spectroscopical TEM results.

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

Envelope of coda waves for a double couple source due to non-linear elasticity

NASA Astrophysics Data System (ADS)

Calisto, Ignacia; Bataille, Klaus

2014-10-01

Non-linear elasticity has recently been considered as a source of scattering, therefore contributing to the coda of seismic waves, in particular for the case of explosive sources. This idea is analysed further here, theoretically solving the expression for the envelope of coda waves generated by a point moment tensor in order to compare with earthquake data. For weak non-linearities, one can consider each point of the non-linear medium as a source of scattering within a homogeneous and linear medium, for which Green's functions can be used to compute the total displacement of scattered waves. These sources of scattering have specific radiation patterns depending on the incident and scattered P or S waves, respectively. In this approach, the coda envelope depends on three scalar parameters related to the specific non-linearity of the medium; however these parameters only change the scale of the coda envelope. The shape of the coda envelope is sensitive to both the source time function and the intrinsic attenuation. We compare simulations using this model with data from earthquakes in Taiwan, with a good fit.

Theory of electron-impact ionization of atoms

NASA Astrophysics Data System (ADS)

Kadyrov, A. S.; Mukhamedzhanov, A. M.; Stelbovics, A. T.; Bray, I.

2004-12-01

The existing formulations of electron-impact ionization of a hydrogenic target suffer from a number of formal problems including an ambiguous and phase-divergent definition of the ionization amplitude. An alternative formulation of the theory is given. An integral representation for the ionization amplitude which is free of ambiguity and divergence problems is derived and is shown to have four alternative, but equivalent, forms well suited for practical calculations. The extension to amplitudes of all possible scattering processes taking place in an arbitrary three-body system follows. A well-defined conventional post form of the breakup amplitude valid for arbitrary potentials including the long-range Coulomb interaction is given. Practical approaches are based on partial-wave expansions, so the formulation is also recast in terms of partial waves and partial-wave expansions of the asymptotic wave functions are presented. In particular, expansions of the asymptotic forms of the total scattering wave function, developed from both the initial and the final state, for electron-impact ionization of hydrogen are given. Finally, the utility of the present formulation is demonstrated on some well-known model problems.

Microwave beam broadening due to turbulent plasma density fluctuations within the limit of the Born approximation and beyond

NASA Astrophysics Data System (ADS)

Köhn, A.; Guidi, L.; Holzhauer, E.; Maj, O.; Poli, E.; Snicker, A.; Weber, H.

2018-07-01

Plasma turbulence, and edge density fluctuations in particular, can under certain conditions broaden the cross-section of injected microwave beams significantly. This can be a severe problem for applications relying on well-localized deposition of the microwave power, like the control of MHD instabilities. Here we investigate this broadening mechanism as a function of fluctuation level, background density and propagation length in a fusion-relevant scenario using two numerical codes, the full-wave code IPF-FDMC and the novel wave kinetic equation solver WKBeam. The latter treats the effects of fluctuations using a statistical approach, based on an iterative solution of the scattering problem (Born approximation). The full-wave simulations are used to benchmark this approach. The Born approximation is shown to be valid over a large parameter range, including ITER-relevant scenarios.

Viscoelastic representation of surface waves in patchy saturated poroelastic media

NASA Astrophysics Data System (ADS)

Zhang, Yu; Xu, Yixian; Xia, Jianghai; Ping, Ping; Zhang, Shuangxi

2014-08-01

Wave-induced flow is observed as the dominated factor for P wave propagation at seismic frequencies. This mechanism has a mesoscopic scale nature. The inhomogeneous unsaturated patches are regarded larger than the pore size, but smaller than the wavelength. Surface wave, e.g., Rayleigh wave, which propagates along the free surface, generated by the interfering of body waves is also affected by the mesoscopic loss mechanisms. Recent studies have reported that the effect of the wave-induced flow in wave propagation shows a relaxation behavior. Viscoelastic equivalent relaxation function associated with the wave mode can describe the kinetic nature of the attenuation. In this paper, the equivalent viscoelastic relaxation functions are extended to take into account the free surface for the Rayleigh surface wave propagation in patchy saturated poroelastic media. Numerical results for the frequency-dependent velocity and attenuation and the time-dependent dynamical responses for the equivalent Rayleigh surface wave propagation along an interface between vacuum and patchy saturated porous media are reported in the low-frequency range (0.1-1,000 Hz). The results show that the dispersion and attenuation and kinetic characteristics of the mesoscopic loss effect for the surface wave can be effectively represented in the equivalent viscoelastic media. The simulation of surface wave propagation within mesoscopic patches requires solving Biot's differential equations in very small grid spaces, involving the conversion of the fast P wave energy diffusion into the Biot slow wave. This procedure requires a very large amount of computer consumption. An efficient equivalent approach for this patchy saturated poroelastic media shows a more convenient way to solve the single phase viscoelastic differential equations.

Generalized plasma dispersion function: One-solve-all treatment, visualizations, and application to Landau damping

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

Xie, Hua-Sheng

2013-09-15

A unified, fast, and effective approach is developed for numerical calculation of the well-known plasma dispersion function with extensions from Maxwellian distribution to almost arbitrary distribution functions, such as the δ, flat top, triangular, κ or Lorentzian, slowing down, and incomplete Maxwellian distributions. The singularity and analytic continuation problems are also solved generally. Given that the usual conclusion γ∝∂f{sub 0}/∂v is only a rough approximation when discussing the distribution function effects on Landau damping, this approach provides a useful tool for rigorous calculations of the linear wave and instability properties of plasma for general distribution functions. The results are alsomore » verified via a linear initial value simulation approach. Intuitive visualizations of the generalized plasma dispersion function are also provided.« less

On the physics of waves in the solar atmosphere: Wave heating and wind acceleration

NASA Technical Reports Server (NTRS)

Musielak, Z. E.

1994-01-01

New calculations of the acoustic wave energy fluxes generated in the solar convective zone have been performed. The treatment of convective turbulence in the sun and solar-like stars, in particular, the precise nature of the turbulent power spectrum has been recognized as one of the most important issues in the wave generation problem. Several different functional forms for spatial and temporal spectra have been considered in the literature and differences between the energy fluxes obtained for different forms often exceed two orders of magnitude. The basic criterion for choosing the appropriate spectrum was the maximal efficiency of the wave generation. We have used a different approach based on physical and empirical arguments as well as on some results from numerical simulation of turbulent convection.

Shock Waves Propagation in Scope of the Nonlocal Theory of Dynamical Plasticity

NASA Astrophysics Data System (ADS)

Khantuleva, Tatyana A.

2004-07-01

From the point of view of the modern statistical mechanics the problems on shock compression of solids require a reformulation in terms of highly nonequilibrium effects arising inside the wave front. The self-organization during the multiscale and multistage momentum and energy exchange are originated by the correlation function. The theory of dynamic plasticity has been developed by the author on the base of the self-consistent nonlocal hydrodynamic approach had been applied to the shock wave propagation in solids. Nonlocal balance equations describe both the reversible wave type transport at the initial stage and the diffusive (dissipative) one in the end. The involved inverse influence of the mesoeffects on the wave propagation makes the formulation of problems self-consistent and involves a concept of the cybernetic control close-loop.

Photonic sensing in highly concentrated biotechnical processes by photon density wave spectroscopy

NASA Astrophysics Data System (ADS)

Hass, Roland; Sandmann, Michael; Reich, Oliver

2017-04-01

Photon Density Wave (PDW) spectroscopy is introduced as a new approach for photonic sensing in highly concentrated biotechnical processes. It independently quantifies the absorption and reduced scattering coefficient calibration-free and as a function of time, thus describing the optical properties in the vis/NIR range of the biomaterial during their processing. As examples of industrial relevance, enzymatic milk coagulation, beer mashing, and algae cultivation in photo bioreactors are discussed.

Diabatic Definition of Geometric Phase Effects.

PubMed

Izmaylov, Artur F; Li, Jiaru; Joubert-Doriol, Loïc

2016-11-08

Electronic wave functions in the adiabatic representation acquire nontrivial geometric phases (GPs) when corresponding potential energy surfaces undergo conical intersection (CI). These GPs have profound effects on the nuclear quantum dynamics and cannot be eliminated in the adiabatic representation without changing the physics of the system. To define dynamical effects arising from the GP presence, the nuclear quantum dynamics of the CI containing system is compared with that of the system with artificially removed GP. We explore a new construction of the system with removed GP via a modification of the diabatic representation for the original CI containing system. Using an absolute value function of diabatic couplings, we remove the GP while preserving adiabatic potential energy surfaces and CI. We assess GP effects in dynamics of a two-dimensional linear vibronic coupling model both for ground and excited state dynamics. Results are compared with those obtained with a conventional removal of the GP by ignoring double-valued boundary conditions of the real electronic wave functions. Interestingly, GP effects appear similar in two approaches only for the low energy dynamics. In contrast with the conventional approach, the new approach does not have substantial GP effects in the ultrafast excited state dynamics.

Computational approaches to understand cardiac electrophysiology and arrhythmias

PubMed Central

Roberts, Byron N.; Yang, Pei-Chi; Behrens, Steven B.; Moreno, Jonathan D.

2012-01-01

Cardiac rhythms arise from electrical activity generated by precisely timed opening and closing of ion channels in individual cardiac myocytes. These impulses spread throughout the cardiac muscle to manifest as electrical waves in the whole heart. Regularity of electrical waves is critically important since they signal the heart muscle to contract, driving the primary function of the heart to act as a pump and deliver blood to the brain and vital organs. When electrical activity goes awry during a cardiac arrhythmia, the pump does not function, the brain does not receive oxygenated blood, and death ensues. For more than 50 years, mathematically based models of cardiac electrical activity have been used to improve understanding of basic mechanisms of normal and abnormal cardiac electrical function. Computer-based modeling approaches to understand cardiac activity are uniquely helpful because they allow for distillation of complex emergent behaviors into the key contributing components underlying them. Here we review the latest advances and novel concepts in the field as they relate to understanding the complex interplay between electrical, mechanical, structural, and genetic mechanisms during arrhythmia development at the level of ion channels, cells, and tissues. We also discuss the latest computational approaches to guiding arrhythmia therapy. PMID:22886409

On Exact Solutions of Rarefaction-Rarefaction Interactions in Compressible Isentropic Flow

NASA Astrophysics Data System (ADS)

Jenssen, Helge Kristian

2017-12-01

Consider the interaction of two centered rarefaction waves in one-dimensional, compressible gas flow with pressure function p(ρ )=a^2ρ ^γ with γ >1. The classic hodograph approach of Riemann provides linear 2nd order equations for the time and space variables t, x as functions of the Riemann invariants r, s within the interaction region. It is well known that t( r, s) can be given explicitly in terms of the hypergeometric function. We present a direct calculation (based on works by Darboux and Martin) of this formula, and show how the same approach provides an explicit formula for x( r, s) in terms of Appell functions (two-variable hypergeometric functions). Motivated by the issue of vacuum and total variation estimates for 1-d Euler flows, we then use the explicit t-solution to monitor the density field and its spatial variation in interactions of two centered rarefaction waves. It is found that the variation is always non-monotone, and that there is an overall increase in density variation if and only if γ >3. We show that infinite duration of the interaction is characterized by approach toward vacuum in the interaction region, and that this occurs if and only if the Riemann problem defined by the extreme initial states generates a vacuum. Finally, it is verified that the minimal density in such interactions decays at rate O(1)/ t.

Transdimensional inversion of scattered body waves for 1D S-wave velocity structure - Application to the Tengchong volcanic area, Southwestern China

NASA Astrophysics Data System (ADS)

Li, Mengkui; Zhang, Shuangxi; Bodin, Thomas; Lin, Xu; Wu, Tengfei

2018-06-01

Inversion of receiver functions is commonly used to recover the S-wave velocity structure beneath seismic stations. Traditional approaches are based on deconvolved waveforms, where the horizontal component of P-wave seismograms is deconvolved by the vertical component. Deconvolution of noisy seismograms is a numerically unstable process that needs to be stabilized by regularization parameters. This biases noise statistics, making it difficult to estimate uncertainties in observed receiver functions for Bayesian inference. This study proposes a method to directly invert observed radial waveforms and to better account for data noise in a Bayesian formulation. We illustrate its feasibility with two synthetic tests having different types of noises added to seismograms. Then, a real site application is performed to obtain the 1-D S-wave velocity structure beneath a seismic station located in the Tengchong volcanic area, Southwestern China. Surface wave dispersion measurements spanning periods from 8 to 65 s are jointly inverted with P waveforms. The results show a complex S-wave velocity structure, as two low velocity zones are observed in the crust and uppermost mantle, suggesting the existence of magma chambers, or zones of partial melt. The upper magma chambers may be the heart source that cause the thermal activity on the surface.

Modeling and Circumventing the Effect of Sediments and Water Column on Receiver Functions

NASA Astrophysics Data System (ADS)

Audet, P.

2017-12-01

Teleseismic P-wave receiver functions are routinely used to resolve crust and mantle structure in various geologic settings. Receiver functions are approximations to the Earth's Green's functions and are composed of various scattered phase arrivals, depending on the complexity of the underlying Earth structure. For simple structure, the dominant arrivals (converted and back-scattered P-to-S phases) are well separated in time and can be reliably used in estimating crustal velocity structure. In the presence of sedimentary layers, strong reverberations typically produce high-amplitude oscillations that contaminate the early part of the wave train and receiver functions can be difficult to interpret in terms of underlying structure. The effect of a water column also limits the interpretability of under-water receiver functions due to the additional acoustic wave propagating within the water column that can contaminate structural arrivals. We perform numerical modeling of teleseismic Green's functions and receiver functions using a reflectivity technique for a range of Earth models that include thin sedimentary layers and overlying water column. These modeling results indicate that, as expected, receiver functions are difficult to interpret in the presence of sediments, but the contaminating effect of the water column is dependent on the thickness of the water layer. To circumvent these effects and recover source-side structure, we propose using an approach based on transfer function modeling that bypasses receiver functions altogether and estimates crustal properties directly from the waveforms (Frederiksen and Delayney, 2015). Using this approach, reasonable assumptions about the properties of the sedimentary layer can be included in forward calculations of the Green's functions that are convolved with radial waveforms to predict vertical waveforms. Exploration of model space using Monte Carlo-style search and least-square waveform misfits can be performed to estimate any model parameter of interest, including those of the sedimentary or water layer. We show how this method can be applied to OBS data using broadband stations from the Cascadia Initiative to recover oceanic plate structure.

Quantum principle of sensing gravitational waves: From the zero-point fluctuations to the cosmological stochastic background of spacetime

NASA Astrophysics Data System (ADS)

Quiñones, Diego A.; Oniga, Teodora; Varcoe, Benjamin T. H.; Wang, Charles H.-T.

2017-08-01

We carry out a theoretical investigation on the collective dynamics of an ensemble of correlated atoms, subject to both vacuum fluctuations of spacetime and stochastic gravitational waves. A general approach is taken with the derivation of a quantum master equation capable of describing arbitrary confined nonrelativistic matter systems in an open quantum gravitational environment. It enables us to relate the spectral function for gravitational waves and the distribution function for quantum gravitational fluctuations and to indeed introduce a new spectral function for the zero-point fluctuations of spacetime. The formulation is applied to two-level identical bosonic atoms in an off-resonant high-Q cavity that effectively inhibits undesirable electromagnetic delays, leading to a gravitational transition mechanism through certain quadrupole moment operators. The overall relaxation rate before reaching equilibrium is found to generally scale collectively with the number N of atoms. However, we are also able to identify certain states of which the decay and excitation rates with stochastic gravitational waves and vacuum spacetime fluctuations amplify more significantly with a factor of N2. Using such favorable states as a means of measuring both conventional stochastic gravitational waves and novel zero-point spacetime fluctuations, we determine the theoretical lower bounds for the respective spectral functions. Finally, we discuss the implications of our findings on future observations of gravitational waves of a wider spectral window than currently accessible. Especially, the possible sensing of the zero-point fluctuations of spacetime could provide an opportunity to generate initial evidence and further guidance of quantum gravity.

Matter-wave diffraction approaching limits predicted by Feynman path integrals for multipath interference

NASA Astrophysics Data System (ADS)

Barnea, A. Ronny; Cheshnovsky, Ori; Even, Uzi

2018-02-01

Interference experiments have been paramount in our understanding of quantum mechanics and are frequently the basis of testing the superposition principle in the framework of quantum theory. In recent years, several studies have challenged the nature of wave-function interference from the perspective of Born's rule—namely, the manifestation of so-called high-order interference terms in a superposition generated by diffraction of the wave functions. Here we present an experimental test of multipath interference in the diffraction of metastable helium atoms, with large-number counting statistics, comparable to photon-based experiments. We use a variation of the original triple-slit experiment and accurate single-event counting techniques to provide a new experimental bound of 2.9 ×10-5 on the statistical deviation from the commonly approximated null third-order interference term in Born's rule for matter waves. Our value is on the order of the maximal contribution predicted for multipath trajectories by Feynman path integrals.

An approach based on wavelet analysis for feature extraction in the a-wave of the electroretinogram.

PubMed

Barraco, R; Persano Adorno, D; Brai, M

2011-12-01

Most biomedical signals are non-stationary. The knowledge of their frequency content and temporal distribution is then useful in a clinical context. The wavelet analysis is appropriate to achieve this task. The present paper uses this method to reveal hidden characteristics and anomalies of the human a-wave, an important component of the electroretinogram since it is a measure of the functional integrity of the photoreceptors. We here analyse the time-frequency features of the a-wave both in normal subjects and in patients affected by Achromatopsia, a pathology disturbing the functionality of the cones. The results indicate the presence of two or three stable frequencies that, in the pathological case, shift toward lower values and change their times of occurrence. The present findings are a first step toward a deeper understanding of the features of the a-wave and possible applications to diagnostic procedures in order to recognise incipient photoreceptoral pathologies. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

Wave-function description of conductance mapping for a quantum Hall electron interferometer

NASA Astrophysics Data System (ADS)

Kolasiński, K.; Szafran, B.

2014-04-01

Scanning gate microscopy of quantum point contacts (QPC) in the integer quantum Hall regime is considered in terms of the scattering wave functions with a finite-difference implementation of the quantum transmitting boundary approach. Conductance (G) maps for a clean QPC as well as for a system including an antidot within the QPC constriction are evaluated. The steplike locally flat G maps for clean QPCs turn into circular resonances that are reentrant in an external magnetic field when the antidot is introduced to the constriction. The current circulation around the antidot and the spacing of the resonances at the magnetic field scale react to the probe approaching the QPC. The calculated G maps with a rigid but soft antidot potential reproduce the features detected recently in the electron interferometer [F. Martins et al., Sci. Rep. 3, 1416 (2013), 10.1038/srep01416].

Fusion yield: Guderley model and Tsallis statistics

NASA Astrophysics Data System (ADS)

Haubold, H. J.; Kumar, D.

2011-02-01

The reaction rate probability integral is extended from Maxwell-Boltzmann approach to a more general approach by using the pathway model introduced by Mathai in 2005 (A pathway to matrix-variate gamma and normal densities. Linear Algebr. Appl. 396, 317-328). The extended thermonuclear reaction rate is obtained in the closed form via a Meijer's G-function and the so-obtained G-function is represented as a solution of a homogeneous linear differential equation. A physical model for the hydrodynamical process in a fusion plasma-compressed and laser-driven spherical shock wave is used for evaluating the fusion energy integral by integrating the extended thermonuclear reaction rate integral over the temperature. The result obtained is compared with the standard fusion yield obtained by Haubold and John in 1981 (Analytical representation of the thermonuclear reaction rate and fusion energy production in a spherical plasma shock wave. Plasma Phys. 23, 399-411). An interpretation for the pathway parameter is also given.

Implementation of quantum and classical discrete fractional Fourier transforms.

PubMed

Weimann, Steffen; Perez-Leija, Armando; Lebugle, Maxime; Keil, Robert; Tichy, Malte; Gräfe, Markus; Heilmann, René; Nolte, Stefan; Moya-Cessa, Hector; Weihs, Gregor; Christodoulides, Demetrios N; Szameit, Alexander

2016-03-23

Fourier transforms, integer and fractional, are ubiquitous mathematical tools in basic and applied science. Certainly, since the ordinary Fourier transform is merely a particular case of a continuous set of fractional Fourier domains, every property and application of the ordinary Fourier transform becomes a special case of the fractional Fourier transform. Despite the great practical importance of the discrete Fourier transform, implementation of fractional orders of the corresponding discrete operation has been elusive. Here we report classical and quantum optical realizations of the discrete fractional Fourier transform. In the context of classical optics, we implement discrete fractional Fourier transforms of exemplary wave functions and experimentally demonstrate the shift theorem. Moreover, we apply this approach in the quantum realm to Fourier transform separable and path-entangled biphoton wave functions. The proposed approach is versatile and could find applications in various fields where Fourier transforms are essential tools.

Implementation of quantum and classical discrete fractional Fourier transforms

PubMed Central

Weimann, Steffen; Perez-Leija, Armando; Lebugle, Maxime; Keil, Robert; Tichy, Malte; Gräfe, Markus; Heilmann, René; Nolte, Stefan; Moya-Cessa, Hector; Weihs, Gregor; Christodoulides, Demetrios N.; Szameit, Alexander

2016-01-01

Fourier transforms, integer and fractional, are ubiquitous mathematical tools in basic and applied science. Certainly, since the ordinary Fourier transform is merely a particular case of a continuous set of fractional Fourier domains, every property and application of the ordinary Fourier transform becomes a special case of the fractional Fourier transform. Despite the great practical importance of the discrete Fourier transform, implementation of fractional orders of the corresponding discrete operation has been elusive. Here we report classical and quantum optical realizations of the discrete fractional Fourier transform. In the context of classical optics, we implement discrete fractional Fourier transforms of exemplary wave functions and experimentally demonstrate the shift theorem. Moreover, we apply this approach in the quantum realm to Fourier transform separable and path-entangled biphoton wave functions. The proposed approach is versatile and could find applications in various fields where Fourier transforms are essential tools. PMID:27006089

Trajectory description of the quantum–classical transition for wave packet interference

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

Chou, Chia-Chun, E-mail: ccchou@mx.nthu.edu.tw

2016-08-15

The quantum–classical transition for wave packet interference is investigated using a hydrodynamic description. A nonlinear quantum–classical transition equation is obtained by introducing a degree of quantumness ranging from zero to one into the classical time-dependent Schrödinger equation. This equation provides a continuous description for the transition process of physical systems from purely quantum to purely classical regimes. In this study, the transition trajectory formalism is developed to provide a hydrodynamic description for the quantum–classical transition. The flow momentum of transition trajectories is defined by the gradient of the action function in the transition wave function and these trajectories follow themore » main features of the evolving probability density. Then, the transition trajectory formalism is employed to analyze the quantum–classical transition of wave packet interference. For the collision-like wave packet interference where the propagation velocity is faster than the spreading speed of the wave packet, the interference process remains collision-like for all the degree of quantumness. However, the interference features demonstrated by transition trajectories gradually disappear when the degree of quantumness approaches zero. For the diffraction-like wave packet interference, the interference process changes continuously from a diffraction-like to collision-like case when the degree of quantumness gradually decreases. This study provides an insightful trajectory interpretation for the quantum–classical transition of wave packet interference.« less

Transition operators in acoustic-wave diffraction theory. I - General theory. II - Short-wavelength behavior, dominant singularities of Zk0 and Zk0 exp -1

NASA Technical Reports Server (NTRS)

Hahne, G. E.

1991-01-01

A formal theory of the scattering of time-harmonic acoustic scalar waves from impenetrable, immobile obstacles is established. The time-independent formal scattering theory of nonrelativistic quantum mechanics, in particular the theory of the complete Green's function and the transition (T) operator, provides the model. The quantum-mechanical approach is modified to allow the treatment of acoustic-wave scattering with imposed boundary conditions of impedance type on the surface (delta-Omega) of an impenetrable obstacle. With k0 as the free-space wavenumber of the signal, a simplified expression is obtained for the k0-dependent T operator for a general case of homogeneous impedance boundary conditions for the acoustic wave on delta-Omega. All the nonelementary operators entering the expression for the T operator are formally simple rational algebraic functions of a certain invertible linear radiation impedance operator which maps any sufficiently well-behaved complex-valued function on delta-Omega into another such function on delta-Omega. In the subsequent study, the short-wavelength and the long-wavelength behavior of the radiation impedance operator and its inverse (the 'radiation admittance' operator) as two-point kernels on a smooth delta-Omega are studied for pairs of points that are close together.

Analyzing Tropical Waves Using the Parallel Ensemble Empirical Model Decomposition Method: Preliminary Results from Hurricane Sandy

NASA Technical Reports Server (NTRS)

Shen, Bo-Wen; Cheung, Samson; Li, Jui-Lin F.; Wu, Yu-ling

2013-01-01

In this study, we discuss the performance of the parallel ensemble empirical mode decomposition (EMD) in the analysis of tropical waves that are associated with tropical cyclone (TC) formation. To efficiently analyze high-resolution, global, multiple-dimensional data sets, we first implement multilevel parallelism into the ensemble EMD (EEMD) and obtain a parallel speedup of 720 using 200 eight-core processors. We then apply the parallel EEMD (PEEMD) to extract the intrinsic mode functions (IMFs) from preselected data sets that represent (1) idealized tropical waves and (2) large-scale environmental flows associated with Hurricane Sandy (2012). Results indicate that the PEEMD is efficient and effective in revealing the major wave characteristics of the data, such as wavelengths and periods, by sifting out the dominant (wave) components. This approach has a potential for hurricane climate study by examining the statistical relationship between tropical waves and TC formation.

The role of axis embedding on rigid rotor decomposition analysis of variational rovibrational wave functions.

PubMed

Szidarovszky, Tamás; Fábri, Csaba; Császár, Attila G

2012-05-07

Approximate rotational characterization of variational rovibrational wave functions via the rigid rotor decomposition (RRD) protocol is developed for Hamiltonians based on arbitrary sets of internal coordinates and axis embeddings. An efficient and general procedure is given that allows employing the Eckart embedding with arbitrary polyatomic Hamiltonians through a fully numerical approach. RRD tables formed by projecting rotational-vibrational wave functions into products of rigid-rotor basis functions and previously determined vibrational eigenstates yield rigid-rotor labels for rovibrational eigenstates by selecting the largest overlap. Embedding-dependent RRD analyses are performed, up to high energies and rotational excitations, for the H(2) (16)O isotopologue of the water molecule. Irrespective of the embedding chosen, the RRD procedure proves effective in providing unambiguous rotational assignments at low energies and J values. Rotational labeling of rovibrational states of H(2) (16)O proves to be increasingly difficult beyond about 10,000 cm(-1), close to the barrier to linearity of the water molecule. For medium energies and excitations the Eckart embedding yields the largest RRD coefficients, thus providing the largest number of unambiguous rotational labels.

Convergence of quasiparticle self-consistent G W calculations of transition-metal monoxides

NASA Astrophysics Data System (ADS)

Das, Suvadip; Coulter, John E.; Manousakis, Efstratios

2015-03-01

Finding an accurate ab initio approach for calculating the electronic properties of transition-metal oxides has been a problem for several decades. In this paper, we investigate the electronic structure of the transition-metal monoxides MnO, CoO, and NiO in their undistorted rocksalt structure within a fully iterated quasiparticle self-consistent G W (QPsc G W ) scheme. We study the convergence of the QPsc G W method, i.e., how the quasiparticle energy eigenvalues and wave functions converge as a function of the QPsc G W iterations, and we compare the converged outputs obtained from different starting wave functions. We find that the convergence is slow and that a one-shot G0W0 calculation does not significantly improve the initial eigenvalues and states. It is important to notice that in some cases the "path" to convergence may go through energy band reordering which cannot be captured by the simple initial unperturbed Hamiltonian. When we reach a fully iterated solution, the converged density of states, band gaps, and magnetic moments of these oxides are found to be only weakly dependent on the choice of the starting wave functions and in reasonably good agreement with the experiment. Finally, this approach provides a clear picture of the interplay between the various orbitals near the Fermi level of these simple transition-metal monoxides. The results of these accurate ab initio calculations can provide input for models aiming at describing the low-energy physics in these materials.

Acoustic Wave Propagation in Snow Based on a Biot-Type Porous Model

NASA Astrophysics Data System (ADS)

Sidler, R.

2014-12-01

Despite the fact that acoustic methods are inexpensive, robust and simple, the application of seismic waves to snow has been sparse. This might be due to the strong attenuation inherent to snow that prevents large scale seismic applications or due to the somewhat counterintuitive acoustic behavior of snow as a porous material. Such materials support a second kind of compressional wave that can be measured in fresh snow and which has a decreasing wave velocity with increasing density of snow. To investigate wave propagation in snow we construct a Biot-type porous model of snow as a function of porosity based on the assumptions that the solid frame is build of ice, the pore space is filled with a mix of air, or air and water, and empirical relationships for the tortuosity, the permeability, the bulk, and the shear modulus.We use this reduced model to investigate compressional and shear wave velocities of snow as a function of porosity and to asses the consequences of liquid water in the snowpack on acoustic wave propagation by solving Biot's differential equations with plain wave solutions. We find that the fast compressional wave velocity increases significantly with increasing density, but also that the fast compressional wave velocity might be even lower than the slow compressional wave velocity for very light snow. By using compressional and shear strength criteria and solving Biot's differential equations with a pseudo-spectral approach we evaluate snow failure due to acoustic waves in a heterogeneous snowpack, which we think is an important mechanism in triggering avalanches by explosives as well as by skiers. Finally, we developed a low cost seismic acquisition device to assess the theoretically obtained wave velocities in the field and to explore the possibility of an inexpensive tool to remotely gather snow water equivalent.

Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory.

PubMed

Gao, Jiali; Grofe, Adam; Ren, Haisheng; Bao, Peng

2016-12-15

A multistate density functional theory (MSDFT) is presented in which the energies and densities for the ground and excited states are treated on the same footing using multiconfigurational approaches. The method can be applied to systems with strong correlation and to correctly describe the dimensionality of the conical intersections between strongly coupled dissociative potential energy surfaces. A dynamic-then-static framework for treating electron correlation is developed to first incorporate dynamic correlation into contracted state functions through block-localized Kohn-Sham density functional theory (KSDFT), followed by diagonalization of the effective Hamiltonian to include static correlation. MSDFT can be regarded as a hybrid of wave function and density functional theory. The method is built on and makes use of the current approximate density functional developed in KSDFT, yet it retains its computational efficiency to treat strongly correlated systems that are problematic for KSDFT but too large for accurate WFT. The results presented in this work show that MSDFT can be applied to photochemical processes involving conical intersections.

Short-range density functional correlation within the restricted active space CI method

NASA Astrophysics Data System (ADS)

Casanova, David

2018-03-01

In the present work, I introduce a hybrid wave function-density functional theory electronic structure method based on the range separation of the electron-electron Coulomb operator in order to recover dynamic electron correlations missed in the restricted active space configuration interaction (RASCI) methodology. The working equations and the computational algorithm for the implementation of the new approach, i.e., RAS-srDFT, are presented, and the method is tested in the calculation of excitation energies of organic molecules. The good performance of the RASCI wave function in combination with different short-range exchange-correlation functionals in the computation of relative energies represents a quantitative improvement with respect to the RASCI results and paves the path for the development of RAS-srDFT as a promising scheme in the computation of the ground and excited states where nondynamic and dynamic electron correlations are important.

Scattering engineering in continuously shaped metasurface: An approach for electromagnetic illusion

PubMed Central

Guo, Yinghui; Yan, Lianshan; Pan, Wei; Shao, Liyang

2016-01-01

The control of electromagnetic waves scattering is critical in wireless communications and stealth technology. Discrete metasurfaces not only increase the design and fabrication complex but also cause difficulties in obtaining simultaneous electric and optical functionality. On the other hand, discontinuous phase profiles fostered by discrete systems inevitably introduce phase noises to the scattering fields. Here we propose the principle of a scattering-harness mechanism by utilizing continuous gradient phase stemming from the spin-orbit interaction via sinusoidal metallic strips. Furthermore, by adjusting the amplitude and period of the sinusoidal metallic strip, the scattering characteristics of the underneath object can be greatly changed and thus result in electromagnetic illusion. The proposal is validated by full-wave simulations and experiment characterization in microwave band. Our approach featured by continuous phase profile, polarization independent performance and facile implementation may find widespread applications in electromagnetic wave manipulation. PMID:27439474

Scattering engineering in continuously shaped metasurface: An approach for electromagnetic illusion

NASA Astrophysics Data System (ADS)

Guo, Yinghui; Yan, Lianshan; Pan, Wei; Shao, Liyang

2016-07-01

The control of electromagnetic waves scattering is critical in wireless communications and stealth technology. Discrete metasurfaces not only increase the design and fabrication complex but also cause difficulties in obtaining simultaneous electric and optical functionality. On the other hand, discontinuous phase profiles fostered by discrete systems inevitably introduce phase noises to the scattering fields. Here we propose the principle of a scattering-harness mechanism by utilizing continuous gradient phase stemming from the spin-orbit interaction via sinusoidal metallic strips. Furthermore, by adjusting the amplitude and period of the sinusoidal metallic strip, the scattering characteristics of the underneath object can be greatly changed and thus result in electromagnetic illusion. The proposal is validated by full-wave simulations and experiment characterization in microwave band. Our approach featured by continuous phase profile, polarization independent performance and facile implementation may find widespread applications in electromagnetic wave manipulation.

Wave-filter-based approach for generation of a quiet space in a rectangular cavity

NASA Astrophysics Data System (ADS)

Iwamoto, Hiroyuki; Tanaka, Nobuo; Sanada, Akira

2018-02-01

This paper is concerned with the generation of a quiet space in a rectangular cavity using active wave control methodology. It is the purpose of this paper to present the wave filtering method for a rectangular cavity using multiple microphones and its application to an adaptive feedforward control system. Firstly, the transfer matrix method is introduced for describing the wave dynamics of the sound field, and then feedforward control laws for eliminating transmitted waves is derived. Furthermore, some numerical simulations are conducted that show the best possible result of active wave control. This is followed by the derivation of the wave filtering equations that indicates the structure of the wave filter. It is clarified that the wave filter consists of three portions; modal group filter, rearrangement filter and wave decomposition filter. Next, from a numerical point of view, the accuracy of the wave decomposition filter which is expressed as a function of frequency is investigated using condition numbers. Finally, an experiment on the adaptive feedforward control system using the wave filter is carried out, demonstrating that a quiet space is generated in the target space by the proposed method.

A diffusion approximation for ocean wave scatterings by randomly distributed ice floes

NASA Astrophysics Data System (ADS)

Zhao, Xin; Shen, Hayley

2016-11-01

This study presents a continuum approach using a diffusion approximation method to solve the scattering of ocean waves by randomly distributed ice floes. In order to model both strong and weak scattering, the proposed method decomposes the wave action density function into two parts: the transmitted part and the scattered part. For a given wave direction, the transmitted part of the wave action density is defined as the part of wave action density in the same direction before the scattering; and the scattered part is a first order Fourier series approximation for the directional spreading caused by scattering. An additional approximation is also adopted for simplification, in which the net directional redistribution of wave action by a single scatterer is assumed to be the reflected wave action of a normally incident wave into a semi-infinite ice cover. Other required input includes the mean shear modulus, diameter and thickness of ice floes, and the ice concentration. The directional spreading of wave energy from the diffusion approximation is found to be in reasonable agreement with the previous solution using the Boltzmann equation. The diffusion model provides an alternative method to implement wave scattering into an operational wave model.

The evolution of hyperboloidal data with the dual foliation formalism: mathematical analysis and wave equation tests

NASA Astrophysics Data System (ADS)

Hilditch, David; Harms, Enno; Bugner, Marcus; Rüter, Hannes; Brügmann, Bernd

2018-03-01

A long-standing problem in numerical relativity is the satisfactory treatment of future null-infinity. We propose an approach for the evolution of hyperboloidal initial data in which the outer boundary of the computational domain is placed at infinity. The main idea is to apply the ‘dual foliation’ formalism in combination with hyperboloidal coordinates and the generalized harmonic gauge formulation. The strength of the present approach is that, following the ideas of Zenginoğlu, a hyperboloidal layer can be naturally attached to a central region using standard coordinates of numerical relativity applications. Employing a generalization of the standard hyperboloidal slices, developed by Calabrese et al, we find that all formally singular terms take a trivial limit as we head to null-infinity. A byproduct is a numerical approach for hyperboloidal evolution of nonlinear wave equations violating the null-condition. The height-function method, used often for fixed background spacetimes, is generalized in such a way that the slices can be dynamically ‘waggled’ to maintain the desired outgoing coordinate lightspeed precisely. This is achieved by dynamically solving the eikonal equation. As a first numerical test of the new approach we solve the 3D flat space scalar wave equation. The simulations, performed with the pseudospectral bamps code, show that outgoing waves are cleanly absorbed at null-infinity and that errors converge away rapidly as resolution is increased.

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.

Anisotropic Lithospheric layering in the North American craton, revealed by Bayesian inversion of short and long period data

NASA Astrophysics Data System (ADS)

Roy, C.; Calo, M.; Bodin, T.; Romanowicz, B. A.

2016-12-01

Competing hypotheses for the formation and evolution of continents are highly under debate, including the theory of underplating by hot plumes or accretion by shallow subduction in continental or arc settings. In order to support these hypotheses, documenting structural layering in the cratonic lithosphere becomes especially important. Studies of seismic-wave receiver function data have detected a structural boundary under continental cratons at 100-140 km depths, which is too shallow to be consistent with the lithosphere-asthenosphere boundary, as inferred from seismic tomography and other geophysical studies. This leads to the conclusion that 1) the cratonic lithosphere may be thinner than expected, contradicting tomographic and other geophysical or geochemical inferences, or 2) that the receiver function studies detect a mid-lithospheric discontinuity rather than the LAB. Recent studies (Bodin et al., 2015, Calo et al. 2016) confirmed the presence of a structural boundary under the north American craton at 100-140 km depths by taking advantage of the power of a trans-dimensional Monte Carlo Markov chain (TMCMC). They generated probabilistic 1D radially shear wave velocity profiles for selected stations in North America by jointly inverting 2 different data types (PS Receiver Functions, surface wave dispersion for Love and Rayleigh waves), which sample different volumes of the Earth and have different sensitivities to structure. The resulting 1D profiles include both isotropic and anisotropic discontinuities in the upper mantle (above 350 km depth). Here we extend this approach and include the vp/vs ratio as an unknown in the TMCMC algorithm to avoid artificial layers induced by multiples of the receiver functions. Additionally, we include SKS waveforms in the joint inversion and invert for azimuthal anisotropy to verify if layering in the anisotropic structure of the stable part of the North American continent involves significant changes in the direction of azimuthal anisotropy as suggested by Yuan and Romanowicz (2010). We recently demonstrated the power of this approach in the case of two stations located in different tectonic settings (Bodin et al., 2016. Here we extend this approach to a broader range of settings within the north American continent.

Breathers, quasi-periodic and travelling waves for a generalized ?-dimensional Yu-Toda-Sasa-Fukayama equation in fluids

NASA Astrophysics Data System (ADS)

Hu, Wen-Qiang; Gao, Yi-Tian; Zhao, Chen; Jia, Shu-Liang; Lan, Zhong-Zhou

2017-07-01

Under investigation in this paper is a generalized ?-dimensional Yu-Toda-Sasa-Fukayama equation for the interfacial wave in a two-layer fluid or the elastic quasi-plane wave in a liquid lattice. By virtue of the binary Bell polynomials, bilinear form of this equation is obtained. With the help of the bilinear form, N-soliton solutions are obtained via the Hirota method, and a bilinear Bäcklund transformation is derived to verify the integrability. Homoclinic breather waves are obtained according to the homoclinic test approach, which is not only the space-periodic breather but also the time-periodic breather via the graphic analysis. Via the Riemann theta function, quasi one-periodic waves are constructed, which can be viewed as a superposition of the overlapping solitary waves, placed one period apart. Finally, soliton-like, periodical triangle-type, rational-type and solitary bell-type travelling waves are obtained by means of the polynomial expansion method.

Comparing different approaches to visualizing light waves: An experimental study on teaching wave optics

NASA Astrophysics Data System (ADS)

Mešić, Vanes; Hajder, Erna; Neumann, Knut; Erceg, Nataša

2016-06-01

Research has shown that students have tremendous difficulties developing a qualitative understanding of wave optics, at all educational levels. In this study, we investigate how three different approaches to visualizing light waves affect students' understanding of wave optics. In the first, the conventional, approach light waves are represented by sinusoidal curves. The second teaching approach includes representing light waves by a series of static images, showing the oscillating electric field vectors at characteristic, subsequent instants of time. Within the third approach phasors are used for visualizing light waves. A total of N =85 secondary school students were randomly assigned to one of the three teaching approaches, each of which lasted a period of four class hours. Students who learned with phasors and students who learned from the series of static images outperformed the students learning according to the conventional approach, i.e., they showed a much better understanding of basic wave optics, as measured by a conceptual survey administered to the students one week after the treatment. Our results suggest that visualizing light waves with phasors or oscillating electric field vectors is a promising approach to developing a deeper understanding of wave optics for students enrolled in conceptual level physics courses.

Wave function for harmonically confined electrons in time-dependent electric and magnetostatic fields.

PubMed

Zhu, Hong-Ming; Chen, Jin-Wang; Pan, Xiao-Yin; Sahni, Viraht

2014-01-14

We derive via the interaction "representation" the many-body wave function for harmonically confined electrons in the presence of a magnetostatic field and perturbed by a spatially homogeneous time-dependent electric field-the Generalized Kohn Theorem (GKT) wave function. In the absence of the harmonic confinement - the uniform electron gas - the GKT wave function reduces to the Kohn Theorem wave function. Without the magnetostatic field, the GKT wave function is the Harmonic Potential Theorem wave function. We further prove the validity of the connection between the GKT wave function derived and the system in an accelerated frame of reference. Finally, we provide examples of the application of the GKT wave function.

Geodesics in nonexpanding impulsive gravitational waves with Λ. II

NASA Astrophysics Data System (ADS)

Sämann, Clemens; Steinbauer, Roland

2017-11-01

We investigate all geodesics in the entire class of nonexpanding impulsive gravitational waves propagating in an (anti-)de Sitter universe using the distributional metric. We extend the regularization approach of part I [Sämann, C. et al., Classical Quantum Gravity 33(11), 115002 (2016)] to a full nonlinear distributional analysis within the geometric theory of generalized functions. We prove global existence and uniqueness of geodesics that cross the impulsive wave and hence geodesic completeness in full generality for this class of low regularity spacetimes. This, in particular, prepares the ground for a mathematically rigorous account on the "physical equivalence" of the continuous form with the distributional "form" of the metric.

Improved distorted wave theory with the localized virial conditions

NASA Astrophysics Data System (ADS)

Hahn, Y. K.; Zerrad, E.

2009-12-01

The distorted wave theory is operationally improved to treat the full collision amplitude, such that the corrections to the distorted wave Born amplitude can be systematically calculated. The localized virial conditions provide the tools necessary to test the quality of successive approximations at each stage and to optimize the solution. The details of the theoretical procedure are explained in concrete terms using a collisional ionization model and variational trial functions. For the first time, adjustable parameters associated with an approximate scattering solution can be fully determined by the theory. A small number of linear parameters are introduced to examine the convergence property and the effectiveness of the new approach.

Deuteron electromagnetic form factors with the light-front approach

NASA Astrophysics Data System (ADS)

Sun, Bao-dong; Dong, Yu-bing

2017-01-01

The electromagnetic form factors and low-energy observables of the deuteron are studied with the help of the light-front approach, where the deuteron is regarded as a weakly bound state of a proton and a neutron. Both the S and D wave interacting vertexes among the deuteron, proton, and neutron are taken into account. Moreover, the regularization functions are also introduced. In our calculations, the vertex and the regularization functions are employed to simulate the momentum distribution inside the deuteron. Our numerical results show that the light-front approach can roughly reproduce the deuteron electromagnetic form factors, like charge G 0, magnetic G 1, and quadrupole G 2, in the low Q 2 region. The important effect of the D wave vertex on G 2 is also addressed. Supported by National Natural Science Foundation of China (10975146, 11475192), The fund provided by the Sino-German CRC 110 “Symmetries and the Emergence of Structure in QCD" project is also appreciated, YBD thanks FAPESP grant 2011/11973-4 for funding his visit to ICTP-SAIFR

Theory of Fiber Optical Bragg Grating: Revisited

NASA Technical Reports Server (NTRS)

Tai, H.

2003-01-01

The reflected signature of an optical fiber Bragg grating is analyzed using the transfer function method. This approach is capable to cast all relevant quantities into proper places and provides a better physical understanding. The relationship between reflected signal, number of periods, index of refraction, and reflected wave phase is elucidated. The condition for which the maximum reflectivity is achieved is fully examined. We also have derived an expression to predict the reflectivity minima accurately when the reflected wave is detuned. Furthermore, using the segmented potential approach, this model can handle arbitrary index of refraction profiles and compare the strength of optical reflectivity of different profiles. The condition of a non-uniform grating is also addressed.

On singular and highly oscillatory properties of the Green function for ship motions

NASA Astrophysics Data System (ADS)

Chen, Xiao-Bo; Xiong Wu, Guo

2001-10-01

The Green function used for analysing ship motions in waves is the velocity potential due to a point source pulsating and advancing at a uniform forward speed. The behaviour of this function is investigated, in particular for the case when the source is located at or close to the free surface. In the far field, the Green function is represented by a single integral along one closed dispersion curve and two open dispersion curves. The single integral along the open dispersion curves is analysed based on the asymptotic expansion of a complex error function. The singular and highly oscillatory behaviour of the Green function is captured, which shows that the Green function oscillates with indefinitely increasing amplitude and indefinitely decreasing wavelength, when a field point approaches the track of the source point at the free surface. This sheds some light on the nature of the difficulties in the numerical methods used for predicting the motion of a ship advancing in waves.

Time-Frequency-Wavenumber Analysis of Surface Waves Using the Continuous Wavelet Transform

NASA Astrophysics Data System (ADS)

Poggi, V.; Fäh, D.; Giardini, D.

2013-03-01

A modified approach to surface wave dispersion analysis using active sources is proposed. The method is based on continuous recordings, and uses the continuous wavelet transform to analyze the phase velocity dispersion of surface waves. This gives the possibility to accurately localize the phase information in time, and to isolate the most significant contribution of the surface waves. To extract the dispersion information, then, a hybrid technique is applied to the narrowband filtered seismic recordings. The technique combines the flexibility of the slant stack method in identifying waves that propagate in space and time, with the resolution of f- k approaches. This is particularly beneficial for higher mode identification in cases of high noise levels. To process the continuous wavelet transform, a new mother wavelet is presented and compared to the classical and widely used Morlet type. The proposed wavelet is obtained from a raised-cosine envelope function (Hanning type). The proposed approach is particularly suitable when using continuous recordings (e.g., from seismological-like equipment) since it does not require any hardware-based source triggering. This can be subsequently done with the proposed method. Estimation of the surface wave phase delay is performed in the frequency domain by means of a covariance matrix averaging procedure over successive wave field excitations. Thus, no record stacking is necessary in the time domain and a large number of consecutive shots can be used. This leads to a certain simplification of the field procedures. To demonstrate the effectiveness of the method, we tested it on synthetics as well on real field data. For the real case we also combine dispersion curves from ambient vibrations and active measurements.

Nonlinear VLF Wave Physics in the Radiation Belts

NASA Astrophysics Data System (ADS)

Crabtree, C. E.; Tejero, E. M.; Ganguli, G.; Mithaiwala, M.; Rudakov, L.; Hospodarsky, G. B.; Kletzing, C.

2014-12-01

Electromagnetic VLF waves, such as whistler mode waves, both control the lifetime of trapped electrons in the radiation belts by pitch-angle scattering and are responsible for the energization of electrons during storms. Traditional approaches to understanding the influence of waves on trapped electrons have assumed that the wave characteristics (frequency spectrum, wave-normal angle distribution, etc.) were both stationary in time and amplitude independent from event to event. In situ data from modern satellite missions, such as the Van Allen probes, are showing that this assumption may not be justified. In addition, recent theoretical results [Crabtree et al. 2012] show that the threshold for nonlinear wave scattering can often be met by naturally occurring VLF waves in the magnetosphere, with wave magnetic fields of the order of 50-100 pT inside the plasmapause. Nonlinear wave scattering (Nonlinear Landau Damping) is an amplitude dependent mechanism that can strongly alter VLF wave propagation [Ganguli et al. 2010], primarily by altering the direction of propagation. Laboratory results have confirmed the dramatic change in propagation direction when the pump wave has sufficient amplitude to exceed the nonlinear threshold [Tejero et al. 2014]. Nonlinear scattering can alter the macroscopic dynamics of waves in the radiation belts leading to the formation of a long-lasting wave-cavity [Crabtree et al. 2012] and, when amplification is present, a multi-pass amplifier [Ganguli et al., 2012]. Such nonlinear wave effects can dramatically reduce electron lifetimes. Nonlinear wave dynamics such as these occur when there are more than one wave present, such a condition necessarily violates the assumption of traditional wave-normal analysis [Santolik et al., 2003] which rely on the plane wave assumption. To investigate nonlinear wave dynamics using modern in situ data we apply the maximum entropy method [Skilling and Bryan, 1984] to solve for the wave distribution function [Storey and Lefeuvre, 1979] to yield the power distribution as a function of wave-normal angle and local azimuthal angle. We have validated this technique in the NRL space chamber and applied this methodology to Van Allen probe data to demonstrate that traditional wave-normal analaysis can give misleading results when multiple waves are present.

Particle swarm optimization and gravitational wave data analysis: Performance on a binary inspiral testbed

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

Wang Yan; Mohanty, Soumya D.; Center for Gravitational Wave Astronomy, Department of Physics and Astronomy, University of Texas at Brownsville, 80 Fort Brown, Brownsville, Texas 78520

2010-03-15

The detection and estimation of gravitational wave signals belonging to a parameterized family of waveforms requires, in general, the numerical maximization of a data-dependent function of the signal parameters. Because of noise in the data, the function to be maximized is often highly multimodal with numerous local maxima. Searching for the global maximum then becomes computationally expensive, which in turn can limit the scientific scope of the search. Stochastic optimization is one possible approach to reducing computational costs in such applications. We report results from a first investigation of the particle swarm optimization method in this context. The method ismore » applied to a test bed motivated by the problem of detection and estimation of a binary inspiral signal. Our results show that particle swarm optimization works well in the presence of high multimodality, making it a viable candidate method for further applications in gravitational wave data analysis.« less

Body-wave traveltime and amplitude shifts from asymptotic travelling wave coupling

USGS Publications Warehouse

Pollitz, F.

2006-01-01

We explore the sensitivity of finite-frequency body-wave traveltimes and amplitudes to perturbations in 3-D seismic velocity structure relative to a spherically symmetric model. Using the approach of coupled travelling wave theory, we consider the effect of a structural perturbation on an isolated portion of the seismogram. By convolving the spectrum of the differential seismogram with the spectrum of a narrow window taper, and using a Taylor's series expansion for wavenumber as a function of frequency on a mode dispersion branch, we derive semi-analytic expressions for the sensitivity kernels. Far-field effects of wave interactions with the free surface or internal discontinuities are implicitly included, as are wave conversions upon scattering. The kernels may be computed rapidly for the purpose of structural inversions. We give examples of traveltime sensitivity kernels for regional wave propagation at 1 Hz. For the direct SV wave in a simple crustal velocity model, they are generally complicated because of interfering waves generated by interactions with the free surface and the Mohorovic??ic?? discontinuity. A large part of the interference effects may be eliminated by restricting the travelling wave basis set to those waves within a certain range of horizontal phase velocity. ?? Journal compilation ?? 2006 RAS.

Spatial transport of electron quantum states with strong attosecond pulses

NASA Astrophysics Data System (ADS)

Chovancova, M.; Agueny, H.; Førre, M.; Kocbach, L.; Hansen, J. P.

2017-11-01

This work follows up the work of Dimitrovsky, Briggs and co-workers on translated electron atomic states by a strong field of an atto-second laser pulse, also described as creation of atoms without a nucleus. Here, we propose a new approach by analyzing the electron states in the Kramers-Henneberger moving frame in the dipole approximation. The wave function follows the displacement vector α (t). This allows arbitrarily shaped pulses, including the model delta-function potentials in the Dimitrovsky and Briggs approach. In the case of final-length single-cycle pulses, we apply both the Kramers-Henneberger moving frame analysis and a full numerical treatment of our 1D model. When the laser pulse frequency exceeds the frequency associated by the energy difference between initial and final states, the entire wavefunction is translated in space nearly without loss of coherence, to a well defined distance from the original position where the ionized core is left behind. This statement is demonstrated on the excited Rydberg states (n = 10, n = 15), where almost no distortion in the transported wave functions has been observed. However, the ground state (n = 1) is visibly distorted during the removal by pulses of reasonable frequencies, as also predicted by Dimitrovsky and Briggs analysis. Our approach allows us to analyze general pulses as well as the model delta-function potentials on the same footing in the Kramers-Henneberger frame.

Heavy and Heavy-Light Mesons in the Covariant Spectator Theory

NASA Astrophysics Data System (ADS)

Stadler, Alfred; Leitão, Sofia; Peña, M. T.; Biernat, Elmar P.

2018-05-01

The masses and vertex functions of heavy and heavy-light mesons, described as quark-antiquark bound states, are calculated with the Covariant Spectator Theory (CST). We use a kernel with an adjustable mixture of Lorentz scalar, pseudoscalar, and vector linear confining interaction, together with a one-gluon-exchange kernel. A series of fits to the heavy and heavy-light meson spectrum were calculated, and we discuss what conclusions can be drawn from it, especially about the Lorentz structure of the kernel. We also apply the Brodsky-Huang-Lepage prescription to express the CST wave functions for heavy quarkonia in terms of light-front variables. They agree remarkably well with light-front wave functions obtained in the Hamiltonian basis light-front quantization approach, even in excited states.

Comparing Different Approaches to Visualizing Light Waves: An Experimental Study on Teaching Wave Optics

ERIC Educational Resources Information Center

Mešic, Vanes; Hajder, Erna; Neumann, Knut; Erceg, Nataša

2016-01-01

Research has shown that students have tremendous difficulties developing a qualitative understanding of wave optics, at all educational levels. In this study, we investigate how three different approaches to visualizing light waves affect students' understanding of wave optics. In the first, the conventional, approach light waves are represented…

A boundary integral approach to the scattering of nonplanar acoustic waves by rigid bodies

NASA Technical Reports Server (NTRS)

Gallman, Judith M.; Myers, M. K.; Farassat, F.

1990-01-01

The acoustic scattering of an incident wave by a rigid body can be described by a singular Fredholm integral equation of the second kind. This equation is derived by solving the wave equation using generalized function theory, Green's function for the wave equation in unbounded space, and the acoustic boundary condition for a perfectly rigid body. This paper will discuss the derivation of the wave equation, its reformulation as a boundary integral equation, and the solution of the integral equation by the Galerkin method. The accuracy of the Galerkin method can be assessed by applying the technique outlined in the paper to reproduce the known pressure fields that are due to various point sources. From the analysis of these simpler cases, the accuracy of the Galerkin solution can be inferred for the scattered pressure field caused by the incidence of a dipole field on a rigid sphere. The solution by the Galerkin technique can then be applied to such problems as a dipole model of a propeller whose pressure field is incident on a rigid cylinder. This is the groundwork for modeling the scattering of rotating blade noise by airplane fuselages.

Axisymmetric Wave Transfer Functions of Flexible Tubes

NASA Astrophysics Data System (ADS)

Pinnington, R. J.

1997-07-01

The input and transfer impedances of fluid-filled pipes are calculated by using a wave approach. The pipe walls can have orthotropic elastic properties associated with braided rubber hose. The input and transfer impedances of a water-filled plain rubber hose are plotted for zero pressurization and positive and negative pressure. It is found that the pressure for this case does not greatly affect the stiffness. Input and transfer impedances are also plotted for a braided rubber hose which demonstrates the significant pressure stiffening effects found in practice.

An adaptive metamaterial beam with hybrid shunting circuits for extremely broadband control of flexural wave (Conference Presentation)

NASA Astrophysics Data System (ADS)

Chen, Yangyang; Huang, Guoliang

2017-04-01

A great deal of research has been devoted to controlling the dynamic behaviors of phononic crystals and metamaterials by directly tuning the frequency regions and/or widths of their inherent band gaps. Here, we present a novel approach to achieve extremely broadband flexural wave/vibration attenuation based on tunable local resonators made of piezoelectric stacks shunted by hybrid negative capacitance and negative inductance circuits with proof masses attached on a host beam. First, wave dispersion relations of the adaptive metamaterial beam are calculated analytically by using the transfer matrix method. The unique modulus tuning properties induced by the hybrid shunting circuits are then characterized conceptually, from which the frequency dependent modulus tuning curves of the piezoelectric stack located within wave attenuation frequency regions are quantitatively identified. As an example, a flexural wave high-pass band filter with a wave attenuation region from 0 to 23.0 kHz is demonstrated analytically and numerically by using the hybrid shunting circuit, in which the two electric components are connected in series. By changing the connection pattern to be parallel, another super wide wave attenuation region from 13.5 to 73.0 kHz is demonstrated to function as a low-pass filter at a subwavelength scale. The proposed adaptive metamaterial possesses a super wide band gap created both naturally and artificially. Therefore, it can be used for the transient wave mitigation at extremely broadband frequencies such as blast or impact loadings. We envision that the proposed design and approach can open many possibilities in broadband vibration and wave control.

Decomposing Large Inverse Problems with an Augmented Lagrangian Approach: Application to Joint Inversion of Body-Wave Travel Times and Surface-Wave Dispersion Measurements

NASA Astrophysics Data System (ADS)

Reiter, D. T.; Rodi, W. L.

2015-12-01

Constructing 3D Earth models through the joint inversion of large geophysical data sets presents numerous theoretical and practical challenges, especially when diverse types of data and model parameters are involved. Among the challenges are the computational complexity associated with large data and model vectors and the need to unify differing model parameterizations, forward modeling methods and regularization schemes within a common inversion framework. The challenges can be addressed in part by decomposing the inverse problem into smaller, simpler inverse problems that can be solved separately, providing one knows how to merge the separate inversion results into an optimal solution of the full problem. We have formulated an approach to the decomposition of large inverse problems based on the augmented Lagrangian technique from optimization theory. As commonly done, we define a solution to the full inverse problem as the Earth model minimizing an objective function motivated, for example, by a Bayesian inference formulation. Our decomposition approach recasts the minimization problem equivalently as the minimization of component objective functions, corresponding to specified data subsets, subject to the constraints that the minimizing models be equal. A standard optimization algorithm solves the resulting constrained minimization problems by alternating between the separate solution of the component problems and the updating of Lagrange multipliers that serve to steer the individual solution models toward a common model solving the full problem. We are applying our inversion method to the reconstruction of the·crust and upper-mantle seismic velocity structure across Eurasia.· Data for the inversion comprise a large set of P and S body-wave travel times·and fundamental and first-higher mode Rayleigh-wave group velocities.

Nonrelativistic approaches derived from point-coupling relativistic models

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

Lourenco, O.; Dutra, M.; Delfino, A.

2010-03-15

We construct nonrelativistic versions of relativistic nonlinear hadronic point-coupling models, based on new normalized spinor wave functions after small component reduction. These expansions give us energy density functionals that can be compared to their relativistic counterparts. We show that the agreement between the nonrelativistic limit approach and the Skyrme parametrizations becomes strongly dependent on the incompressibility of each model. We also show that the particular case A=B=0 (Walecka model) leads to the same energy density functional of the Skyrme parametrizations SV and ZR2, while the truncation scheme, up to order {rho}{sup 3}, leads to parametrizations for which {sigma}=1.

Quantum and classical dissipation of charged particles

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

Ibarra-Sierra, V.G.; Anzaldo-Meneses, A.; Cardoso, J.L.

2013-08-15

A Hamiltonian approach is presented to study the two dimensional motion of damped electric charges in time dependent electromagnetic fields. The classical and the corresponding quantum mechanical problems are solved for particular cases using canonical transformations applied to Hamiltonians for a particle with variable mass. Green’s function is constructed and, from it, the motion of a Gaussian wave packet is studied in detail. -- Highlights: •Hamiltonian of a damped charged particle in time dependent electromagnetic fields. •Exact Green’s function of a charged particle in time dependent electromagnetic fields. •Time evolution of a Gaussian wave packet of a damped charged particle.more » •Classical and quantum dynamics of a damped electric charge.« less

Ab initio computation of the transition temperature of the charge density wave transition in TiS e2

NASA Astrophysics Data System (ADS)

Duong, Dinh Loc; Burghard, Marko; Schön, J. Christian

2015-12-01

We present a density functional perturbation theory approach to estimate the transition temperature of the charge density wave transition of TiS e2 . The softening of the phonon mode at the L point where in TiS e2 a giant Kohn anomaly occurs, and the energy difference between the normal and distorted phase are analyzed. Both features are studied as functions of the electronic temperature, which corresponds to the Fermi-Dirac distribution smearing value in the calculation. The transition temperature is found to be 500 and 600 K by phonon and energy analysis, respectively, in reasonable agreement with the experimental value of 200 K.

Negative values of quasidistributions and quantum wave and number statistics

NASA Astrophysics Data System (ADS)

Peřina, J.; Křepelka, J.

2018-04-01

We consider nonclassical wave and number quantum statistics, and perform a decomposition of quasidistributions for nonlinear optical down-conversion processes using Bessel functions. We show that negative values of the quasidistribution do not directly represent probabilities; however, they directly influence measurable number statistics. Negative terms in the decomposition related to the nonclassical behavior with negative amplitudes of probability can be interpreted as positive amplitudes of probability in the negative orthogonal Bessel basis, whereas positive amplitudes of probability in the positive basis describe classical cases. However, probabilities are positive in all cases, including negative values of quasidistributions. Negative and positive contributions of decompositions to quasidistributions are estimated. The approach can be adapted to quantum coherence functions.

On the physical interpretation of the nuclear molecular orbital energy.

PubMed

Charry, Jorge; Pedraza-González, Laura; Reyes, Andrés

2017-06-07

Recently, several groups have extended and implemented molecular orbital (MO) schemes to simultaneously obtain wave functions for electrons and selected nuclei. Many of these schemes employ an extended Hartree-Fock approach as a first step to find approximate electron-nuclear wave functions and energies. Numerous studies conducted with these extended MO methodologies have explored various effects of quantum nuclei on physical and chemical properties. However, to the best of our knowledge no physical interpretation has been assigned to the nuclear molecular orbital energy (NMOE) resulting after solving extended Hartree-Fock equations. This study confirms that the NMOE is directly related to the molecular electrostatic potential at the position of the nucleus.

A Robust Deconvolution Method based on Transdimensional Hierarchical Bayesian Inference

NASA Astrophysics Data System (ADS)

Kolb, J.; Lekic, V.

2012-12-01

Analysis of P-S and S-P conversions allows us to map receiver side crustal and lithospheric structure. This analysis often involves deconvolution of the parent wave field from the scattered wave field as a means of suppressing source-side complexity. A variety of deconvolution techniques exist including damped spectral division, Wiener filtering, iterative time-domain deconvolution, and the multitaper method. All of these techniques require estimates of noise characteristics as input parameters. We present a deconvolution method based on transdimensional Hierarchical Bayesian inference in which both noise magnitude and noise correlation are used as parameters in calculating the likelihood probability distribution. Because the noise for P-S and S-P conversion analysis in terms of receiver functions is a combination of both background noise - which is relatively easy to characterize - and signal-generated noise - which is much more difficult to quantify - we treat measurement errors as an known quantity, characterized by a probability density function whose mean and variance are model parameters. This transdimensional Hierarchical Bayesian approach has been successfully used previously in the inversion of receiver functions in terms of shear and compressional wave speeds of an unknown number of layers [1]. In our method we used a Markov chain Monte Carlo (MCMC) algorithm to find the receiver function that best fits the data while accurately assessing the noise parameters. In order to parameterize the receiver function we model the receiver function as an unknown number of Gaussians of unknown amplitude and width. The algorithm takes multiple steps before calculating the acceptance probability of a new model, in order to avoid getting trapped in local misfit minima. Using both observed and synthetic data, we show that the MCMC deconvolution method can accurately obtain a receiver function as well as an estimate of the noise parameters given the parent and daughter components. Furthermore, we demonstrate that this new approach is far less susceptible to generating spurious features even at high noise levels. Finally, the method yields not only the most-likely receiver function, but also quantifies its full uncertainty. [1] Bodin, T., M. Sambridge, H. Tkalčić, P. Arroucau, K. Gallagher, and N. Rawlinson (2012), Transdimensional inversion of receiver functions and surface wave dispersion, J. Geophys. Res., 117, B02301

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.

Pressure wave propagation in fluid-filled co-axial elastic tubes. Part 1: Basic theory.

PubMed

Berkouk, K; Carpenter, P W; Lucey, A D

2003-12-01

Our work is motivated by ideas about the pathogenesis of syringomyelia. This is a serious disease characterized by the appearance of longitudinal cavities within the spinal cord. Its causes are unknown, but pressure propagation is probably implicated. We have developed an inviscid theory for the propagation of pressure waves in co-axial, fluid-filled, elastic tubes. This is intended as a simple model of the intraspinal cerebrospinal-fluid system. Our approach is based on the classic theory for the propagation of longitudinal waves in single, fluid-filled, elastic tubes. We show that for small-amplitude waves the governing equations reduce to the classic wave equation. The wave speed is found to be a strong function of the ratio of the tubes' cross-sectional areas. It is found that the leading edge of a transmural pressure pulse tends to generate compressive waves with converging wave fronts. Consequently, the leading edge of the pressure pulse steepens to form a shock-like elastic jump. A weakly nonlinear theory is developed for such an elastic jump.

Physical uniqueness of higher-order Korteweg-de Vries theory for continuously stratified fluids without background shear

NASA Astrophysics Data System (ADS)

Shimizu, Kenji

2017-10-01

The 2nd-order Korteweg-de Vries (KdV) equation and the Gardner (or extended KdV) equation are often used to investigate internal solitary waves, commonly observed in oceans and lakes. However, application of these KdV-type equations for continuously stratified fluids to geophysical problems is hindered by nonuniqueness of the higher-order coefficients and the associated correction functions to the wave fields. This study proposes to reduce arbitrariness of the higher-order KdV theory by considering its uniqueness in the following three physical senses: (i) consistency of the nonlinear higher-order coefficients and correction functions with the corresponding phase speeds, (ii) wavenumber-independence of the vertically integrated available potential energy, and (iii) its positive definiteness. The spectral (or generalized Fourier) approach based on vertical modes in the isopycnal coordinate is shown to enable an alternative derivation of the 2nd-order KdV equation, without encountering nonuniqueness. Comparison with previous theories shows that Parseval's theorem naturally yields a unique set of special conditions for (ii) and (iii). Hydrostatic fully nonlinear solutions, derived by combining the spectral approach and simple-wave analysis, reveal that both proposed and previous 2nd-order theories satisfy (i), provided that consistent definitions are used for the wave amplitude and the nonlinear correction. This condition reduces the arbitrariness when higher-order KdV-type theories are compared with observations or numerical simulations. The coefficients and correction functions that satisfy (i)-(iii) are given by explicit formulae to 2nd order and by algebraic recurrence relationships to arbitrary order for hydrostatic fully nonlinear and linear fully nonhydrostatic effects.

Systematic approach to cutoff frequency selection in continuous-wave electron paramagnetic resonance imaging

NASA Astrophysics Data System (ADS)

Hirata, Hiroshi; Itoh, Toshiharu; Hosokawa, Kouichi; Deng, Yuanmu; Susaki, Hitoshi

2005-08-01

This article describes a systematic method for determining the cutoff frequency of the low-pass window function that is used for deconvolution in two-dimensional continuous-wave electron paramagnetic resonance (EPR) imaging. An evaluation function for the criterion used to select the cutoff frequency is proposed, and is the product of the effective width of the point spread function for a localized point signal and the noise amplitude of a resultant EPR image. The present method was applied to EPR imaging for a phantom, and the result of cutoff frequency selection was compared with that based on a previously reported method for the same projection data set. The evaluation function has a global minimum point that gives the appropriate cutoff frequency. Images with reasonably good resolution and noise suppression can be obtained from projections with an automatically selected cutoff frequency based on the present method.

Receiver Functions From Regional and Near-Teleseismic P Waves

NASA Astrophysics Data System (ADS)

Park, J.; Levin, V.

2001-05-01

P waves from regional-distance earthquakes are complex and reverberatory, as would be expected from a combination of head waves, post-critical crustal reflections and shallow-incident P from the upper mantle. Although developed to analyze steeply-incident teleseismic P waves, receiver function analysis can also retrieve information about crustal structure from regional and near-teleseismic P. Using a new method to estimate receiver functions, based on multiple-taper spectral analysis, regional-distance RFs for GSN stations RAYN and ANTO show broad agreement with teleseismic RFs. At RAYN the moveout of the Moho-converted Ps phase, relative to direct P, follows well the predictions of the IASP91 earth model. The Moho-converted Ps phase shows complexity associated with the transition-zone triplication near Δ =20o and constant delay (zero moveout) as Δ -> 0, consistent with conversion from Pn. Similar behavior is seen for ANTO for events that arrive from the west. For eastern backazimuths the ANTO RFs show features whose moveout is negative as Δ -> 0. This moveout is poorly fit by reverberations in flat layers or by direct scattering from a dipping interface, but is consistent with a topographic scatterer 20--30 km eastward of the ANTO site. Regional receiver functions may therefore be useful in judging whether teleseismic RFs at a particular station are suitable candidates for a 1-D velocity structure inversion. Synthetic seismograms of regional P phases, computed with a locked-mode reflectivity approach, confirm broad features of the RAYN and ANTO regional receiver functions.

Full wave description of VLF wave penetration through the ionosphere

NASA Astrophysics Data System (ADS)

Kuzichev, Ilya; Shklyar, David

2010-05-01

Of the many problems in whistler study, wave propagation through the ionosphere is among the most important, and the most difficult at the same time. Both satellite and ground-based investigations of VLF waves include considerations of this problem, and it has been in the focus of research since the beginning of whistler study (Budden [1985]; Helliwell [1965]). The difficulty in considering VLF wave passage through the ionosphere is, after all, due to fast variation of the lower ionosphere parameters as compared to typical VLF wave number. This makes irrelevant the consideration in the framework of geometrical optics, which, along with a smooth variations of parameters, is always based on a particular dispersion relation. Although the full wave analysis in the framework of cold plasma approximation does not require slow variations of plasma parameters, and does not assume any particular wave mode, the fact that the wave of a given frequency belongs to different modes in various regions makes numerical solution of the field equations not simple. More specifically, as is well known (e.g. Ginzburg and Rukhadze [1972]), in a cold magnetized plasma, there are, in general, two wave modes related to a given frequency. Both modes, however, do not necessarily correspond to propagating waves. In particular, in the frequency range related to whistler waves, the other mode is evanescent, i.e. it has a negative value of N2 (the refractive index squared). It means that one of solutions of the relevant differential equations is exponentially growing, which makes a straightforward numerical approach to these equations despairing. This well known difficulty in the problem under discussion is usually identified as numerical swamping (Budden [1985]). Resolving the problem of numerical swamping becomes, in fact, a key point in numerical study of wave passage through the ionosphere. As it is typical of work based on numerical simulations, its essential part remains virtually hidden. Then, every researcher, in order to get quantitative characteristics of the process, such as transmission and reflection coefficients, needs to go through the whole problem. That is why the number of publications dealing with VLF wave transmission through the ionosphere does not run short. In this work, we develop a new approach to the problem, such that its intrinsic difficulty is resolved analytically, while numerical calculations are reduced to stable equations solvable with the help of a routine program. Using this approach, the field of VLF wave incident on the ionosphere from above is calculated as a function of height, and reflection coefficients for different frequencies and angles of incidence are obtained. In particular, for small angles of incidence, for which incident waves reach the ground, the reflection coefficient appears to be an oscillating function of frequency. Another goal of the work is to present all equations and related formulae in an undisguised form, in order that the problem may be solved in a straightforward way, once the ionospheric plasma parameters are given. References Budden, K.G. (1985), The Propagation of Radio Waves, Cambridge Univ. Press, Cambridge, U.K. Ginzburg, V.L., and Rukhadze, A.A. (1972), Waves in Magnetoactive Plasma. In Handbuch der Physik (ed. S. Flügge). Vol. 49, Part IV, p. 395, Springer Verlag, Berlin. Helliwell, R. A. (1965), Whistlers and Related Ionospheric Phenomena, Stanford University Press, Stanford, California.

Using Adjoint Methods to Improve 3-D Velocity Models of Southern California

NASA Astrophysics Data System (ADS)

Liu, Q.; Tape, C.; Maggi, A.; Tromp, J.

2006-12-01

We use adjoint methods popular in climate and ocean dynamics to calculate Fréchet derivatives for tomographic inversions in southern California. The Fréchet derivative of an objective function χ(m), where m denotes the Earth model, may be written in the generic form δχ=int Km(x) δln m(x) d3x, where δln m=δ m/m denotes the relative model perturbation. For illustrative purposes, we construct the 3-D finite-frequency banana-doughnut kernel Km, corresponding to the misfit of a single traveltime measurement, by simultaneously computing the 'adjoint' wave field s† forward in time and reconstructing the regular wave field s backward in time. The adjoint wave field is produced by using the time-reversed velocity at the receiver as a fictitious source, while the regular wave field is reconstructed on the fly by propagating the last frame of the wave field saved by a previous forward simulation backward in time. The approach is based upon the spectral-element method, and only two simulations are needed to produce density, shear-wave, and compressional-wave sensitivity kernels. This method is applied to the SCEC southern California velocity model. Various density, shear-wave, and compressional-wave sensitivity kernels are presented for different phases in the seismograms. We also generate 'event' kernels for Pnl, S and surface waves, which are the Fréchet kernels of misfit functions that measure the P, S or surface wave traveltime residuals at all the receivers simultaneously for one particular event. Effectively, an event kernel is a sum of weighted Fréchet kernels, with weights determined by the associated traveltime anomalies. By the nature of the 3-D simulation, every event kernel is also computed based upon just two simulations, i.e., its construction costs the same amount of computation time as an individual banana-doughnut kernel. One can think of the sum of the event kernels for all available earthquakes, called the 'misfit' kernel, as a graphical representation of the gradient of the misfit function. With the capability of computing both the value of the misfit function and its gradient, which assimilates the traveltime anomalies, we are ready to use a non-linear conjugate gradient algorithm to iteratively improve velocity models of southern California.

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.

Qualitative numerical studies of the modification of the pitch angle distribution of test particles by alfvènic wave activity

NASA Astrophysics Data System (ADS)

Keilbach, D.; Drews, C.; Berger, L.; Marsch, E.; Wimmer-Schweingruber, R. F.

2017-12-01

Using a test particle approach we have investigated, how an oxygen pickup ion torus velocity distribution is modified by continuous and intermittent alfvènic waves on timescales, where the gyro trajectory of each particle can be traced.We have therefore exposed the test particles to mono frequent waves, which expanded through the whole simulation in time and space. The general behavior of the pitch angle distribution is found to be stationary and a nonlinear function of the wave frequency, amplitude and the initial angle between wave elongation and field-perpendicular particle velocity vector. The figure shows the time-averaged pitch angle distributions as a function of the Doppler shifted wave frequency (where the Doppler shift was calculated with respect to the particles initial velocity) for three different wave amplitudes (labeled in each panel). The background field is chosen to be 5 nT and the 500 test particles were initially distributed on a torus with 120° pitch angle at a solar wind velocity of 450 km/s. Each y-slice of the histogram (which has been normalized to it's respective maximum) represents an individual run of the simulation.The frequency-dependent behavior of the test particles is found to be classifiable into the regimes of very low/high frequencies and frequencies close to first order resonance. We have found, that only in the latter regime the particles interact strongly with the wave, where in the time averaged histograms a branch structure is found, which was identified as a trace of particles co-moving with the wave phase. The magnitude of pitch angle change of these particles is as well as the frequency margin, where the branch structure is found, an increasing function with the wave amplitude.We have also investigated the interaction with mono frequent intermittent waves. Exposed to such waves a torus distribution is scattered in pitch angle space, whereas the pitch angle distribution is broadened systematically over time similar to pitch angle diffusion.The framework of our simulations is a first step toward understanding wave particle interactions at the most basic level and is readily expandable to e.g. the inclusion of multiple wave frequencies, intermittent wave activity, gradients in the background magnetic field or collisions with solar wind particles.

How does social support affect functional impairment in late life? Findings of a multicenter prospective cohort study in Germany.

PubMed

Hajek, André; Brettschneider, Christian; Mallon, Tina; van der Leeden, Carolin; Mamone, Silke; Wiese, Birgitt; Weyerer, Siegfried; Werle, Jochen; Fuchs, Angela; Pentzek, Michael; Riedel-Heller, Steffi G; Stein, Janine; Bickel, Horst; Weeg, Dagmar; Heser, Kathrin; Wagner, Michael; Maier, Wolfgang; Scherer, Martin; Luck, Tobias; König, Hans-Helmut

2017-09-01

to investigate how social support affects functional impairment (FI) in late life in a longitudinal approach. in a multicenter prospective cohort study, subjects in old age (≥75 years at baseline) were interviewed every 1.5 years. Social support was quantified in the follow-up (FU) Waves 2 and 4 (FU Wave 2: n = 2,349; FU Wave 4: n = 1,484). FI was assessed by using the Lawton and Brody Instrumental Activities of Daily Living scale. fixed effects regressions showed that a decrease in social support is associated with FI in the total sample and in both sexes. The effect on FI was most pronounced with the dimension social integration, whereas changes in practical support only affected FI in the total sample and changes in emotional support only affected FI in men. our findings emphasise the importance of social support for functional status in late life. Thus, strengthening social support in old age might be effective in maintaining functional abilities. © The Author 2017. Published by Oxford University Press on behalf of the British Geriatrics Society.All rights reserved. For permissions, please email: journals.permissions@oup.com

Angular momentum transport with twisted exciton wave packets

NASA Astrophysics Data System (ADS)

Zang, Xiaoning; Lusk, Mark T.

2017-10-01

A chain of cofacial molecules with CN or CN h symmetry supports excitonic states with a screwlike structure. These can be quantified with the combination of an axial wave number and an azimuthal winding number. Combinations of these states can be used to construct excitonic wave packets that spiral down the chain with well-determined linear and angular momenta. These twisted exciton wave packets can be created and annihilated using laser pulses, and their angular momentum can be optically modified during transit. This allows for the creation of optoexcitonic circuits in which information, encoded in the angular momentum of light, is converted into excitonic wave packets that can be manipulated, transported, and then reemitted. A tight-binding paradigm is used to demonstrate the key ideas. The approach is then extended to quantify the evolution of twisted exciton wave packets in a many-body, multilevel time-domain density functional theory setting. In both settings, numerical methods are developed that allow the site-to-site transfer of angular momentum to be quantified.

Solving three-body-breakup problems with outgoing-flux asymptotic conditions

NASA Astrophysics Data System (ADS)

Randazzo, J. M.; Buezas, F.; Frapiccini, A. L.; Colavecchia, F. D.; Gasaneo, G.

2011-11-01

An analytically solvable three-body collision system (s wave) model is used to test two different theoretical methods. The first one is a configuration interaction expansion of the scattering wave function using a basis set of Generalized Sturmian Functions (GSF) with purely outgoing flux (CISF), introduced recently in A. L. Frapicinni, J. M. Randazzo, G. Gasaneo, and F. D. Colavecchia [J. Phys. B: At. Mol. Opt. Phys.JPAPEH0953-407510.1088/0953-4075/43/10/101001 43, 101001 (2010)]. The second one is a finite element method (FEM) calculation performed with a commercial code. Both methods are employed to analyze different ways of modeling the asymptotic behavior of the wave function in finite computational domains. The asymptotes can be simulated very accurately by choosing hyperspherical or rectangular contours with the FEM software. In contrast, the CISF method can be defined both in an infinite domain or within a confined region in space. We found that the hyperspherical (rectangular) FEM calculation and the infinite domain (confined) CISF evaluation are equivalent. Finally, we apply these models to the Temkin-Poet approach of hydrogen ionization.

Fine Splitting of Electron States in Silicon Nanocrystal with a Hydrogen-like Shallow Donor

PubMed Central

2007-01-01

Electron structure of a silicon quantum dot doped with a shallow hydrogen-like donor has been calculated for the electron states above the optical gap. Within the framework of the envelope-function approach we have calculated the fine splitting of the ground sixfold degenerate electron state as a function of the donor position inside the quantum dot. Also, dependence of the wave functions and energies on the dot size was obtained.

Contrast improvement of continuous wave diffuse optical tomography reconstruction by hybrid approach using least square and genetic algorithm

NASA Astrophysics Data System (ADS)

Patra, Rusha; Dutta, Pranab K.

2015-07-01

Reconstruction of the absorption coefficient of tissue with good contrast is of key importance in functional diffuse optical imaging. A hybrid approach using model-based iterative image reconstruction and a genetic algorithm is proposed to enhance the contrast of the reconstructed image. The proposed method yields an observed contrast of 98.4%, mean square error of 0.638×10-3, and object centroid error of (0.001 to 0.22) mm. Experimental validation of the proposed method has also been provided with tissue-like phantoms which shows a significant improvement in image quality and thus establishes the potential of the method for functional diffuse optical tomography reconstruction with continuous wave setup. A case study of finger joint imaging is illustrated as well to show the prospect of the proposed method in clinical diagnosis. The method can also be applied to the concentration measurement of a region of interest in a turbid medium.

Semiclassical approach to atomic decoherence by gravitational waves

NASA Astrophysics Data System (ADS)

Quiñones, D. A.; Varcoe, B. T. H.

2018-01-01

A new heuristic model of interaction of an atomic system with a gravitational wave (GW) is proposed. In it, the GW alters the local electromagnetic field of the atomic nucleus, as perceived by the electron, changing the state of the system. The spectral decomposition of the wave function is calculated, from which the energy is obtained. The results suggest a shift in the difference of the atomic energy levels, which will induce a small detuning to a resonant transition. The detuning increases with the quantum numbers of the levels, making the effect more prominent for Rydberg states. We performed calculations on the Rabi oscillations of atomic transitions, estimating how they would vary as a result of the proposed effect.

The effects of core-reflected waves on finite fault inversion with teleseismic body wave data

NASA Astrophysics Data System (ADS)

Qian, Y.; Ni, S.; Wei, S.

2016-12-01

Reliable estimation of rupture processes for a large earthquake is valuable for post-seismic rescue, tsunami alert, seismotectonic studies, as well as earthquake physics. Finite-fault inversion has been widely accepted to reconstruct the spatial-temporal distribution of rupture processes, which can be obtained by individual or jointly inversion of seismic, geodetic and tsunami data sets. Among the above observations, teleseismic (30° 90°) body waves, usually P and SH waves, have been used extensively in such inversions because their propagation are well understood and readily available for large earthquakes with good coverages of slowness and azimuth. However, finite fault inversion methods usually assume turning P and SH waves without inclusion of core-reflected waves when calculating the synthetic waveforms, which may result in systematic error in finite-fault inversions. For the core-reflected SH wave ScS, it is expected to be strong due to total reflection from Core-Mantle-Boundary. Moreover, the time interval between direct S and ScS could be smaller than the duration of large earthquakes for large epicentral distances. In order to improve the accuracy of finite fault inversion with teleseismic body waves, we develop a procedure named multitel3 to compute Greens' functions that contain both turning waves (P, pP, sP, S, sS et al.) and core-reflected phases (PcP and ScS) and apply it to finite fault inversions. This ray-based method can rapidly calculate teleseismic body wave synthetics with flexibility for path calibration of 3D mantle structure. The new Green's function is plugged into finite fault inversion package to replace the original Green's function with only turning P and SH waves. With the 2008 Mw7.9 Wenchuan earthquake as example, a series of numerical tests conducted on synthetic data are used to assess the performance of our approach. We also explore this new procedure's stability when there are discrepancies between the parameters of input model and the priori information of inverse model, such as strike, dip of finite fault and so on. With the quantified code, we apply it to study rupture process of the 2016 Mw7.8 Sumatra earthquake.

Wave scattering of complex local site in a layered half-space by using a multidomain IBEM: incident plane SH waves

NASA Astrophysics Data System (ADS)

Ba, Zhenning; Yin, Xiao

2016-06-01

A multidomain indirect boundary element method (IBEM) is proposed to study the wave scattering of plane SH waves by complex local site in a layered half-space. The new method, using both the full-space and layered half-space Green's functions as its fundamental solutions can also be regarded as a coupled method of the full-space IBEM and half-space IBEM. First, the whole model is decomposed into independent closed regions and an opened layered half-space region with all of the irregular interfaces; then, fictitious uniformly distributed loads are applied separately on the boundaries of each region, and scattered fields of the closed regions and the opened layered half-space region are constructed by calculating the full-space and layered half-space Green's functions, respectively; finally, all of the regions are assembled to establish the linear algebraic system that arises from discretization. The densities of the distributed loads are determined directly by solving the algebraic system. The accuracy and capability of the new approach are verified extensively by comparing its results with those of published approaches for a class of hills, valleys and embedded inclusions. And the capability of the new method is further displayed when it is used to investigate a hill-triple layered valley-hill coupled topography in a multilayered half-space. All of the numerical calculations presented in this paper demonstrate that the new method is very suitable for solving multidomain coupled multilayered wave scattering problems with the merits of high accuracy and representing the scattered fields in different kinds of regions more reasonably and flexibly.

Agradient velocity, vortical motion and gravity waves in a rotating shallow-water model

NASA Astrophysics Data System (ADS)

Sutyrin Georgi, G.

2004-07-01

A new approach to modelling slow vortical motion and fast inertia-gravity waves is suggested within the rotating shallow-water primitive equations with arbitrary topography. The velocity is exactly expressed as a sum of the gradient wind, described by the Bernoulli function,B, and the remaining agradient part, proportional to the velocity tendency. Then the equation for inverse potential vorticity,Q, as well as momentum equations for agradient velocity include the same source of intrinsic flow evolution expressed as a single term J (B, Q), where J is the Jacobian operator (for any steady state J (B, Q) = 0). Two components of agradient velocity are responsible for the fast inertia-gravity wave propagation similar to the traditionally used divergence and ageostrophic vorticity. This approach allows for the construction of balance relations for vortical dynamics and potential vorticity inversion schemes even for moderate Rossby and Froude numbers assuming the characteristic value of |J(B, Q)| = to be small. The components of agradient velocity are used as the fast variables slaved to potential vorticity that allows for diagnostic estimates of the velocity tendency, the direct potential vorticity inversion with the accuracy of 2 and the corresponding potential vorticity-conserving agradient velocity balance model (AVBM). The ultimate limitations of constructing the balance are revealed in the form of the ellipticity condition for balanced tendency of the Bernoulli function which incorporates both known criteria of the formal stability: the gradient wind modified by the characteristic vortical Rossby wave phase speed should be subcritical. The accuracy of the AVBM is illustrated by considering the linear normal modes and coastal Kelvin waves in the f-plane channel with topography.

Probabilistic source mechanism estimation based on body-wave waveforms through shift and stack algorithm

NASA Astrophysics Data System (ADS)

Massin, F.; Malcolm, A. E.

2017-12-01

Knowing earthquake source mechanisms gives valuable information for earthquake response planning and hazard mitigation. Earthquake source mechanisms can be analyzed using long period waveform inversion (for moderate size sources with sufficient signal to noise ratio) and body-wave first motion polarity or amplitude ratio inversion (for micro-earthquakes with sufficient data coverage). A robust approach that gives both source mechanisms and their associated probabilities across all source scales would greatly simplify the determination of source mechanisms and allow for more consistent interpretations of the results. Following previous work on shift and stack approaches, we develop such a probabilistic source mechanism analysis, using waveforms, which does not require polarity picking. For a given source mechanism, the first period of the observed body-waves is selected for all stations, multiplied by their corresponding theoretical polarity and stacked together. (The first period is found from a manually picked travel time by measuring the central period where the signal power is concentrated, using the second moment of the power spectral density function.) As in other shift and stack approaches, our method is not based on the optimization of an objective function through an inversion. Instead, the power of the polarity-corrected stack is a proxy for the likelihood of the trial source mechanism, with the most powerful stack corresponding to the most likely source mechanism. Using synthetic data, we test our method for robustness to the data coverage, coverage gap, signal to noise ratio, travel-time picking errors and non-double couple component. We then present results for field data in a volcano-tectonic context. Our results are reliable when constrained by 15 body-wavelets, with gap below 150 degrees, signal to noise ratio over 1 and arrival time error below a fifth of the period (0.2T) of the body-wave. We demonstrate that the source scanning approach for source mechanism analysis has similar advantages to waveform inversion (full waveform data, no manual intervention, probabilistic approach) and similar applicability to polarity inversion (any source size, any instrument type).

Chemical Bonding: The Orthogonal Valence-Bond View

PubMed Central

Sax, Alexander F.

2015-01-01

Chemical bonding is the stabilization of a molecular system by charge- and spin-reorganization processes in chemical reactions. These processes are said to be local, because the number of atoms involved is very small. With multi-configurational self-consistent field (MCSCF) wave functions, these processes can be calculated, but the local information is hidden by the delocalized molecular orbitals (MO) used to construct the wave functions. The transformation of such wave functions into valence bond (VB) wave functions, which are based on localized orbitals, reveals the hidden information; this transformation is called a VB reading of MCSCF wave functions. The two-electron VB wave functions describing the Lewis electron pair that connects two atoms are frequently called covalent or neutral, suggesting that these wave functions describe an electronic situation where two electrons are never located at the same atom; such electronic situations and the wave functions describing them are called ionic. When the distance between two atoms decreases, however, every covalent VB wave function composed of non-orthogonal atomic orbitals changes its character from neutral to ionic. However, this change in the character of conventional VB wave functions is hidden by its mathematical form. Orthogonal VB wave functions composed of orthonormalized orbitals never change their character. When localized fragment orbitals are used instead of atomic orbitals, one can decide which local information is revealed and which remains hidden. In this paper, we analyze four chemical reactions by transforming the MCSCF wave functions into orthogonal VB wave functions; we show how the reactions are influenced by changing the atoms involved or by changing their local symmetry. Using orthogonal instead of non-orthogonal orbitals is not just a technical issue; it also changes the interpretation, revealing the properties of wave functions that remain otherwise undetected. PMID:25906476

Study of the grazing-incidence X-ray scattering of strongly disturbed fractal surfaces

NASA Astrophysics Data System (ADS)

Roshchin, B. S.; Chukhovsky, F. N.; Pavlyuk, M. D.; Opolchentsev, A. M.; Asadchikov, V. E.

2017-03-01

The applicability of different approaches to the description of hard X-ray scattering from rough surfaces is generally limited by a maximum surface roughness height of no more than 1 nm. Meanwhile, this value is several times larger for the surfaces of different materials subjected to treatment, especially in the initial treatment stages. To control the roughness parameters in all stages of surface treatment, a new approach has been developed, which is based on a series expansion of wavefield over the plane eigenstate-function waves describing the small-angle scattering of incident X-rays in terms of plane q-waves propagating through the interface between two media with a random function of relief heights. To determine the amplitudes of reflected and transmitted plane q-waves, a system of two linked integral equations was derived. The solutions to these equations correspond (in zero order) to the well-known Fresnel expressions for a smooth plane interface. Based on these solutions, a statistical fractal model of an isotropic rough interface is built in terms of root-mean-square roughness σ, two-point correlation length l, and fractal surface index h. The model is used to interpret X-ray scattering data for polished surfaces of single-crystal cadmium telluride samples.

Study of the grazing-incidence X-ray scattering of strongly disturbed fractal surfaces

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

Roshchin, B. S., E-mail: ross@crys.ras.ru; Chukhovsky, F. N.; Pavlyuk, M. D.

2017-03-15

The applicability of different approaches to the description of hard X-ray scattering from rough surfaces is generally limited by a maximum surface roughness height of no more than 1 nm. Meanwhile, this value is several times larger for the surfaces of different materials subjected to treatment, especially in the initial treatment stages. To control the roughness parameters in all stages of surface treatment, a new approach has been developed, which is based on a series expansion of wavefield over the plane eigenstate-function waves describing the small-angle scattering of incident X-rays in terms of plane q-waves propagating through the interface betweenmore » two media with a random function of relief heights. To determine the amplitudes of reflected and transmitted plane q-waves, a system of two linked integral equations was derived. The solutions to these equations correspond (in zero order) to the well-known Fresnel expressions for a smooth plane interface. Based on these solutions, a statistical fractal model of an isotropic rough interface is built in terms of root-mean-square roughness σ, two-point correlation length l, and fractal surface index h. The model is used to interpret X-ray scattering data for polished surfaces of single-crystal cadmium telluride samples.« less

Bound state solution of Dirac equation for 3D harmonics oscillator plus trigonometric scarf noncentral potential using SUSY QM approach

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

Cari, C., E-mail: carinln@yahoo.com; Suparmi, A., E-mail: carinln@yahoo.com

2014-09-30

Dirac equation of 3D harmonics oscillator plus trigonometric Scarf non-central potential for spin symmetric case is solved using supersymmetric quantum mechanics approach. The Dirac equation for exact spin symmetry reduces to Schrodinger like equation. The relativistic energy and wave function for spin symmetric case are simply obtained using SUSY quantum mechanics method and idea of shape invariance.

Systematic theoretical investigation of the zero-field splitting in Gd(III) complexes: Wave function and density functional approaches

NASA Astrophysics Data System (ADS)

Khan, Shehryar; Kubica-Misztal, Aleksandra; Kruk, Danuta; Kowalewski, Jozef; Odelius, Michael

2015-01-01

The zero-field splitting (ZFS) of the electronic ground state in paramagnetic ions is a sensitive probe of the variations in the electronic and molecular structure with an impact on fields ranging from fundamental physical chemistry to medical applications. A detailed analysis of the ZFS in a series of symmetric Gd(III) complexes is presented in order to establish the applicability and accuracy of computational methods using multiconfigurational complete-active-space self-consistent field wave functions and of density functional theory calculations. The various computational schemes are then applied to larger complexes Gd(III)DOTA(H2O)-, Gd(III)DTPA(H2O)2-, and Gd(III)(H2O)83+ in order to analyze how the theoretical results compare to experimentally derived parameters. In contrast to approximations based on density functional theory, the multiconfigurational methods produce results for the ZFS of Gd(III) complexes on the correct order of magnitude.

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.

Rotorcraft Transmission Noise Path Model, Including Distributed Fluid Film Bearing Impedance Modeling

NASA Technical Reports Server (NTRS)

Hambric, Stephen A.; Hanford, Amanda D.; Shepherd, Micah R.; Campbell, Robert L.; Smith, Edward C.

2010-01-01

A computational approach for simulating the effects of rolling element and journal bearings on the vibration and sound transmission through gearboxes has been demonstrated. The approach, using ARL/Penn State s CHAMP methodology, uses Component Mode Synthesis of housing and shafting modes computed using Finite Element (FE) models to allow for rapid adjustment of bearing impedances in gearbox models. The approach has been demonstrated on NASA GRC s test gearbox with three different bearing configurations: in the first condition, traditional rolling element (ball and roller) bearings were installed, and in the second and third conditions, the traditional bearings were replaced with journal and wave bearings (wave bearings are journal bearings with a multi-lobed wave pattern on the bearing surface). A methodology for computing the stiffnesses and damping in journal and wave bearings has been presented, and demonstrated for the journal and wave bearings used in the NASA GRC test gearbox. The FE model of the gearbox, along with the rolling element bearing coupling impedances, was analyzed to compute dynamic transfer functions between forces applied to the meshing gears and accelerations on the gearbox housing, including several locations near the bearings. A Boundary Element (BE) acoustic model was used to compute the sound radiated by the gearbox. Measurements of the Gear Mesh Frequency (GMF) tones were made by NASA GRC at several operational speeds for the rolling element and journal bearing gearbox configurations. Both the measurements and the CHAMP numerical model indicate that the journal bearings reduce vibration and noise for the second harmonic of the gear meshing tones, but show no clear benefit to using journal bearings to reduce the amplitudes of the fundamental gear meshing tones. Also, the numerical model shows that the gearbox vibrations and radiated sound are similar for journal and wave bearing configurations.

Producing data-based sensitivity kernels from convolution and correlation in exploration geophysics.

NASA Astrophysics Data System (ADS)

Chmiel, M. J.; Roux, P.; Herrmann, P.; Rondeleux, B.

2016-12-01

Many studies have shown that seismic interferometry can be used to estimate surface wave arrivals by correlation of seismic signals recorded at a pair of locations. In the case of ambient noise sources, the convergence towards the surface wave Green's functions is obtained with the criterion of equipartitioned energy. However, seismic acquisition with active, controlled sources gives more possibilities when it comes to interferometry. The use of controlled sources makes it possible to recover the surface wave Green's function between two points using either correlation or convolution. We investigate the convolutional and correlational approaches using land active-seismic data from exploration geophysics. The data were recorded on 10,710 vertical receivers using 51,808 sources (seismic vibrator trucks). The sources spacing is the same in both X and Y directions (30 m) which is known as a "carpet shooting". The receivers are placed in parallel lines with a spacing 150 m in the X direction and 30 m in the Y direction. Invoking spatial reciprocity between sources and receivers, correlation and convolution functions can thus be constructed between either pairs of receivers or pairs of sources. Benefiting from the dense acquisition, we extract sensitivity kernels from correlation and convolution measurements of the seismic data. These sensitivity kernels are subsequently used to produce phase-velocity dispersion curves between two points and to separate the higher mode from the fundamental mode for surface waves. Potential application to surface wave cancellation is also envisaged.

Electron Correlation from the Adiabatic Connection for Multireference Wave Functions

NASA Astrophysics Data System (ADS)

Pernal, Katarzyna

2018-01-01

An adiabatic connection (AC) formula for the electron correlation energy is derived for a broad class of multireference wave functions. The AC expression recovers dynamic correlation energy and assures a balanced treatment of the correlation energy. Coupling the AC formalism with the extended random phase approximation allows one to find the correlation energy only from reference one- and two-electron reduced density matrices. If the generalized valence bond perfect pairing model is employed a simple closed-form expression for the approximate AC formula is obtained. This results in the overall M5 scaling of the computation cost making the method one of the most efficient multireference approaches accounting for dynamic electron correlation also for the strongly correlated systems.

Solving the quantum many-body problem with artificial neural networks

NASA Astrophysics Data System (ADS)

Carleo, Giuseppe; Troyer, Matthias

2017-02-01

The challenge posed by the many-body problem in quantum physics originates from the difficulty of describing the nontrivial correlations encoded in the exponential complexity of the many-body wave function. Here we demonstrate that systematic machine learning of the wave function can reduce this complexity to a tractable computational form for some notable cases of physical interest. We introduce a variational representation of quantum states based on artificial neural networks with a variable number of hidden neurons. A reinforcement-learning scheme we demonstrate is capable of both finding the ground state and describing the unitary time evolution of complex interacting quantum systems. Our approach achieves high accuracy in describing prototypical interacting spins models in one and two dimensions.

Toward the detection of gravitational waves under non-Gaussian noises I. Locally optimal statistic.

PubMed

Yokoyama, Jun'ichi

2014-01-01

After reviewing the standard hypothesis test and the matched filter technique to identify gravitational waves under Gaussian noises, we introduce two methods to deal with non-Gaussian stationary noises. We formulate the likelihood ratio function under weakly non-Gaussian noises through the Edgeworth expansion and strongly non-Gaussian noises in terms of a new method we call Gaussian mapping where the observed marginal distribution and the two-body correlation function are fully taken into account. We then apply these two approaches to Student's t-distribution which has a larger tails than Gaussian. It is shown that while both methods work well in the case the non-Gaussianity is small, only the latter method works well for highly non-Gaussian case.

DIFFUSE AURORA ON GANYMEDE DRIVEN BY ELECTROSTATIC WAVES

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

Singhal, R. P.; Tripathi, A. K.; Halder, S.

The role of electrostatic electron cyclotron harmonic (ECH) waves in producing diffuse auroral emission O i 1356 Å on Ganymede is investigated. Electron precipitation flux entering the atmosphere of Ganymede due to pitch-angle diffusion by ECH waves into the atmospheric loss-cone is calculated. The analytical yield spectrum approach for electron energy degradation in gases is used for calculating diffuse auroral intensities. It is found that calculated O i 1356 Å intensity resulting from the precipitation of magnetospheric electrons observed near Ganymede is insufficient to account for the observed diffuse auroral intensity. This is in agreement with estimates made in earliermore » works. Heating and acceleration of ambient electrons by ECH wave turbulence near the magnetic equator on the field line connecting Ganymede and Jupiter are considered. Two electron distribution functions are used to simulate the heating effect by ECH waves. Use of a Maxwellian distribution with temperature 100 eV can produce about 50–70 Rayleigh O i 1356 Å intensities, and the kappa distribution with characteristic energy 50 eV also gives rise to intensities with similar magnitude. Numerical experiments are performed to study the effect of ECH wave spectral intensity profile, ECH wave amplitude, and temperature/characteristic energy of electron distribution functions on the calculated diffuse auroral intensities. The proposed missions, joint NASA/ESA Jupiter Icy Moon Explorer and the present JUNO mission to Jupiter, would provide new data to constrain the ECH wave and other physical parameters near Ganymede. These should help confirm the findings of the present study.« less

Implementation of the vortex force formalism in the coupled ocean-atmosphere-wave-sediment transport (COAWST) modeling system for inner shelf and surf zone applications

USGS Publications Warehouse

Kumar, Nirnimesh; Voulgaris, George; Warner, John C.; Olabarrieta, Maitane

2012-01-01

Model results from the planar beach case show good agreement with depth-averaged analytical solutions and with theoretical flow structures. Simulation results for the DUCK' 94 experiment agree closely with measured profiles of cross-shore and longshore velocity data from and . Diagnostic simulations showed that the nonlinear processes of wave roller generation and wave-induced mixing are important for the accurate simulation of surf zone flows. It is further recommended that a more realistic approach for determining the contribution of wave rollers and breaking induced turbulent mixing can be formulated using non-dimensional parameters which are functions of local wave parameters and the beach slope. Dominant terms in the cross-shore momentum balance are found to be the quasi-static pressure gradient and breaking acceleration. In the alongshore direction, bottom stress, breaking acceleration, horizontal advection and horizontal vortex forces dominate the momentum balance. The simulation results for the bar/rip channel morphology case clearly show the ability of the modeling system to reproduce horizontal and vertical circulation patterns similar to those found in laboratory studies and to numerical simulations using the radiation stress representation. The vortex force term is found to be more important at locations where strong flow vorticity interacts with the wave-induced Stokes flow field. Outside the surf zone, the three-dimensional model simulations of wave-induced flows for non-breaking waves closely agree with flow observations from MVCO, with the vertical structure of the simulated flow varying as a function of the vertical viscosity as demonstrated by Lentz et al. (2008).

Convergent close-coupling approach to positron scattering on He+★

NASA Astrophysics Data System (ADS)

Rawlins, Charlie M.; Kadyrov, Alisher S.; Bray, Igor

2018-05-01

A close-coupling method is used to generate electron-loss and total scattering cross sections for the first three partial waves with both a single-centre and two-centre expansion of the scattering wave function for positron scattering on He +. The two expansions are consistent with each other above the ionisation threshold verifying newly-developed positronium-formation matrix elements. Below the positronium-formation threshold both the single- and two-centre results agree with the elastic-scattering cross sections generated from the phase shifts reported in previous calculations.

Molecular dynamics study of lubricant depletion by pulsed laser heating

NASA Astrophysics Data System (ADS)

Seo, Young Woo; Rosenkranz, Andreas; Talke, Frank E.

2018-05-01

In this study, molecular dynamics simulations were performed to numerically investigate the effect of pulsed laser heating on lubricant depletion. The maximum temperature, the lubricant depletion width, the number of evaporated lubricant beads and the number of fragmented lubricant chains were studied as a function of laser peak power, pulse duration and repetition rate. A continuous-wave laser and a square pulse laser were simulated and compared to a Gaussian pulse laser. With increasing repetition rate, pulsed laser heating was found to approach continuous-wave laser heating.

Density-Functional Theory with Dispersion-Correcting Potentials for Methane: Bridging the Efficiency and Accuracy Gap between High-Level Wave Function and Classical Molecular Mechanics Methods.

PubMed

Torres, Edmanuel; DiLabio, Gino A

2013-08-13

Large clusters of noncovalently bonded molecules can only be efficiently modeled by classical mechanics simulations. One prominent challenge associated with this approach is obtaining force-field parameters that accurately describe noncovalent interactions. High-level correlated wave function methods, such as CCSD(T), are capable of correctly predicting noncovalent interactions, and are widely used to produce reference data. However, high-level correlated methods are generally too computationally costly to generate the critical reference data required for good force-field parameter development. In this work we present an approach to generate Lennard-Jones force-field parameters to accurately account for noncovalent interactions. We propose the use of a computational step that is intermediate to CCSD(T) and classical molecular mechanics, that can bridge the accuracy and computational efficiency gap between them, and demonstrate the efficacy of our approach with methane clusters. On the basis of CCSD(T)-level binding energy data for a small set of methane clusters, we develop methane-specific, atom-centered, dispersion-correcting potentials (DCPs) for use with the PBE0 density-functional and 6-31+G(d,p) basis sets. We then use the PBE0-DCP approach to compute a detailed map of the interaction forces associated with the removal of a single methane molecule from a cluster of eight methane molecules and use this map to optimize the Lennard-Jones parameters for methane. The quality of the binding energies obtained by the Lennard-Jones parameters we obtained is assessed on a set of methane clusters containing from 2 to 40 molecules. Our Lennard-Jones parameters, used in combination with the intramolecular parameters of the CHARMM force field, are found to closely reproduce the results of our dispersion-corrected density-functional calculations. The approach outlined can be used to develop Lennard-Jones parameters for any kind of molecular system.

Ten reasons why a thermalized system cannot be described by a many-particle wave function

NASA Astrophysics Data System (ADS)

Drossel, Barbara

2017-05-01

It is widely believed that the underlying reality behind statistical mechanics is a deterministic and unitary time evolution of a many-particle wave function, even though this is in conflict with the irreversible, stochastic nature of statistical mechanics. The usual attempts to resolve this conflict for instance by appealing to decoherence or eigenstate thermalization are riddled with problems. This paper considers theoretical physics of thermalized systems as it is done in practice and shows that all approaches to thermalized systems presuppose in some form limits to linear superposition and deterministic time evolution. These considerations include, among others, the classical limit, extensivity, the concepts of entropy and equilibrium, and symmetry breaking in phase transitions and quantum measurement. As a conclusion, the paper suggests that the irreversibility and stochasticity of statistical mechanics should be taken as a real property of nature. It follows that a gas of a macroscopic number N of atoms in thermal equilibrium is best represented by a collection of N wave packets of a size of the order of the thermal de Broglie wave length, which behave quantum mechanically below this scale but classically sufficiently far beyond this scale. In particular, these wave packets must localize again after scattering events, which requires stochasticity and indicates a connection to the measurement process.

Description of an α-cluster tail in 8Be and 20Ne: Delocalization of the α cluster by quantum penetration

NASA Astrophysics Data System (ADS)

Kanada-En'yo, Yoshiko

2014-10-01

We analyze the α-cluster wave functions in cluster states of ^8Be and ^{20}Ne by comparing the exact relative wave function obtained by the generator coordinate method (GCM) with various types of trial functions. For the trial functions, we adopt the fixed range shifted Gaussian of the Brink-Bloch (BB) wave function, the spherical Gaussian with the adjustable range parameter of the spherical Tohsaki-Horiuchi-Schuck-Röpke (sTHSR), the deformed Gaussian of the deformed THSR (dTHSR), and a function with the Yukawa tail (YT). The quality of the description of the exact wave function with a trial function is judged by the squared overlap between the trial function and the GCM wave function. A better result is obtained with the sTHSR wave function than the BB wave function, and further improvement can be made with the dTHSR wave function because these wave functions can describe the outer tail better. The YT wave function gives almost an equal quality to or even better quality than the dTHSR wave function, indicating that the outer tail of α-cluster states is characterized by the Yukawa-like tail rather than the Gaussian tail. In weakly bound α-cluster states with small α separation energy and the low centrifugal and Coulomb barriers, the outer tail part is the slowly damping function described well by the quantum penetration through the effective barrier. This outer tail characterizes the almost zero-energy free α gas behavior, i.e., the delocalization of the cluster.

A 3-D crustal and uppermost mantle model of the western US from receiver functions and surface wave dispersion derived from ambient noise and teleseismic earthquakes

NASA Astrophysics Data System (ADS)

Shen, W.; Schulte-Pelkum, V.; Ritzwoller, M. H.

2011-12-01

The joint inversion of surface wave dispersion and receiver functions was proven feasible on a station by station basis more than a decade ago. Joint application to a large number of stations across a broad region such as western US is more challenging, however, because of the different resolutions of the two methods. Improvements in resolution in surface wave studies derived from ambient noise and array-based methods applied to earthquake data now allow surface wave dispersion and receiver functions to be inverted simultaneously across much of the Earthscope/USArray Transportable Array (TA), and we have developed a Monte-Carlo procedure for this purpose. As a proof of concept we applied this procedure to a region containing 186 TA stations in the intermountain west, including a variety of tectonic settings such as the Colorado Plateau, the Basin and Range, the Rocky Mountains, and the Great Plains. This work has now been expanded to encompass all TA stations in the western US. Our approach includes three main components. (1) We enlarge the Earthscope Automated Receiver Survey (EARS) receiver function database by adding more events within a quality control procedure. A back-azimuth-independent receiver function and its associated uncertainties are constructed using a harmonic stripping algorithm. (2) Rayleigh wave dispersion curves are generated from the eikonal tomography applied to ambient noise cross-correlation data and Helmoholtz tomography applied to teleseismic surface wave data to yield dispersion maps from 8 sec to 80 sec period. (3) We apply a Metropolis Monte Carlo algorithm to invert for the average velocity structure beneath each station. Simple kriging is applied to interpolate to the discrete results into a continuous 3-D model. This method has now been applied to over 1,000 TA stations in the western US. We show that the receiver functions and surface wave dispersion data can be reconciled beneath more than 80% of the stations using a smooth parameterization of both crustal and uppermost mantle structure. After the inversion, a 3-D model for the crust and uppermost mantle to a depth of 150 km is constructed for this region. Compared with using surface wave data alone, uncertainty in crustal thickness is much lower and as a result, the lower crustal velocity is better constrained given a smaller depth-velocity trade-off. The new 3-D model including Moho depth with attendant uncertainties provides the basis for further analysis on radial anisotropy and geodynamics in the western US, and also forms a starting point for other seismological studies such as body wave tomography and receiver function CCP analysis.

Semiconductor Quantum Electron Wave Transport, Diffraction, and Interference: Analysis, Device, and Measurement.

NASA Astrophysics Data System (ADS)

Henderson, Gregory Newell

Semiconductor device dimensions are rapidly approaching a fundamental limit where drift-diffusion equations and the depletion approximation are no longer valid. In this regime, quantum effects can dominate device response. To increase further device density and speed, new devices must be designed that use these phenomena to positive advantage. In addition, quantum effects provide opportunities for a new class of devices which can perform functions previously unattainable with "conventional" semiconductor devices. This thesis has described research in the analysis of electron wave effects in semiconductors and the development of methods for the design, fabrication, and characterization of quantum devices based on these effects. First, an exact set of quantitative analogies are presented which allow the use of well understood optical design and analysis tools for the development of electron wave semiconductor devices. Motivated by these analogies, methods are presented for modeling electron wave grating diffraction using both an exact rigorous coupled-wave analysis and approximate analyses which are useful for grating design. Example electron wave grating switch and multiplexer designs are presented. In analogy to thin-film optics, the design and analysis of electron wave Fabry-Perot interference filters are also discussed. An innovative technique has been developed for testing these (and other) electron wave structures using Ballistic Electron Emission Microscopy (BEEM). This technique uses a liquid-helium temperature scanning tunneling microscope (STM) to perform spectroscopy of the electron transmittance as a function of electron energy. Experimental results show that BEEM can resolve even weak quantum effects, such as the reflectivity of a single interface between materials. Finally, methods are discussed for incorporating asymmetric electron wave Fabry-Perot filters into optoelectronic devices. Theoretical and experimental results show that such structures could be the basis for a new type of electrically pumped mid - to far-infrared semiconductor laser.

A Unified Approach to Electromagnetic Wave Propagation in Turbulence and the Evaluation of Multiparameter Integrals

DTIC Science & Technology

1988-07-01

The solutions in some cases have been made more general , as in the papers of Fried2 and Tyler3 by defining normnalized quantities; the tabular and... generalized hypergeometric functions. For that case, he shows that the integral, which can be transformed into a Mellin- Barnes integral, can be expressed as a...finite sum of generalized hypergeometric functions which are equivalent to a Meijer’s G-function. He briefly considers the case in which the

Graded metascreens to enable a new degree of nanoscale light management

PubMed Central

Mohammadi Estakhri, Nasim; Argyropoulos, Christos; Alù, Andrea

2015-01-01

Optical metasurfaces, typically referred to as two-dimensional metamaterials, are arrays of engineered subwavelength inclusions suitably designed to tailor the light properties, including amplitude, phase and polarization state, over deeply subwavelength scales. By exploiting anomalous localized interactions of surface elements with optical waves, metasurfaces can go beyond the functionalities offered by conventional diffractive optical gratings. The innate simplicity of implementation and the distinct underlying physics of their wave–matter interaction distinguish metasurfaces from three-dimensional metamaterials and provide a valuable means of moulding optical waves in the desired manner. Here, we introduce a general approach based on the electromagnetic equivalence principle to develop and synthesize graded, non-periodic metasurfaces to generate arbitrarily prescribed distributions of electromagnetic waves. Graded metasurfaces are realized with a single layer of spatially modulated, electrically polarizable nanoparticles, tailoring the scattering response of the surface with nanoscale resolutions. We discuss promising applications based on the proposed local wave management technique, including the design of ultrathin optical carpet cloaks, alignment-free polarization beam splitters and a novel approach to enable broadband light absorption enhancement in thin-film solar cells. This concept opens up a practical route towards efficient planarized optical structures with potential impact on the integrated nanophotonic technology. PMID:26217059

A low-order model for wave propagation in random waveguides

NASA Astrophysics Data System (ADS)

Millet, Christophe; Bertin, Michael; Bouche, Daniel

2014-11-01

In numerical modeling of infrasound propagation in the atmosphere, the wind and temperature profiles are usually obtained as a result of matching atmospheric models to empirical data and thus inevitably involve some random errors. In the present approach, the sound speed profiles are considered as random functions and the wave equation is solved using a reduced-order model, starting from the classical normal mode technique. We focus on the asymptotic behavior of the transmitted waves in the weakly heterogeneous regime (the coupling between the wave and the medium is weak), with a fixed number of propagating modes that can be obtained by rearranging the eigenvalues by decreasing Sobol indices. The most important feature of the stochastic approach lies in the fact that the model order can be computed to satisfy a given statistical accuracy whatever the frequency. The statistics of a transmitted broadband pulse are computed by decomposing the original pulse into a sum of modal pulses that can be described by a front pulse stabilization theory. The method is illustrated on two large-scale infrasound calibration experiments, that were conducted at the Sayarim Military Range, Israel, in 2009 and 2011.

On the nonlinear three dimensional instability of Stokes layers and other shear layers to pairs of oblique waves

NASA Technical Reports Server (NTRS)

Wu, Xuesong; Lee, Sang Soo; Cowley, Stephen J.

1992-01-01

The nonlinear evolution of a pair of initially oblique waves in a high Reynolds Number Stokes layer is studied. Attention is focused on times when disturbances of amplitude epsilon have O(epsilon(exp 1/3)R) growth rates, where R is the Reynolds number. The development of a pair of oblique waves is then controlled by nonlinear critical-layer effects. Viscous effects are included by studying the distinguished scaling epsilon = O(R(exp -1)). This leads to a complicated modification of the kernel function in the integro-differential amplitude equation. When viscosity is not too large, solutions to the amplitude equation develop a finite-time singularity, indicating that an explosive growth can be introduced by nonlinear effects; we suggest that such explosive growth can lead to the bursts observed in experiments. Increasing the importance of viscosity generally delays the occurrence of the finite-time singularity, and sufficiently large viscosity may lead to the disturbance decaying exponentially. For the special case when the streamwise and spanwise wavenumbers are equal, the solution can evolve into a periodic oscillation. A link between the unsteady critical-layer approach to high-Reynolds-number flow instability, and the wave vortex approach is identified.

Photoionization of furan from the ground and excited electronic states.

PubMed

Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero

2016-02-28

Here we present a comparative computational study of the photoionization of furan from the ground and the two lowest-lying excited electronic states. The study aims to assess the quality of the computational methods currently employed for treating bound and continuum states in photoionization. For the ionization from the ground electronic state, we show that the Dyson orbital approach combined with an accurate solution of the continuum one particle wave functions in a multicenter B-spline basis, at the density functional theory (DFT) level, provides cross sections and asymmetry parameters in excellent agreement with experimental data. On the contrary, when the Dyson orbitals approach is combined with the Coulomb and orthogonalized Coulomb treatments of the continuum, the results are qualitatively different. In excited electronic states, three electronic structure methods, TDDFT, ADC(2), and CASSCF, have been used for the computation of the Dyson orbitals, while the continuum was treated at the B-spline/DFT level. We show that photoionization observables are sensitive probes of the nature of the excited states as well as of the quality of excited state wave functions. This paves the way for applications in more complex situations such as time resolved photoionization spectroscopy.

Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces.

PubMed

Richings, Gareth W; Habershon, Scott

2017-09-12

We describe a method for performing nuclear quantum dynamics calculations using standard, grid-based algorithms, including the multiconfiguration time-dependent Hartree (MCTDH) method, where the potential energy surface (PES) is calculated "on-the-fly". The method of Gaussian process regression (GPR) is used to construct a global representation of the PES using values of the energy at points distributed in molecular configuration space during the course of the wavepacket propagation. We demonstrate this direct dynamics approach for both an analytical PES function describing 3-dimensional proton transfer dynamics in malonaldehyde and for 2- and 6-dimensional quantum dynamics simulations of proton transfer in salicylaldimine. In the case of salicylaldimine we also perform calculations in which the PES is constructed using Hartree-Fock calculations through an interface to an ab initio electronic structure code. In all cases, the results of the quantum dynamics simulations are in excellent agreement with previous simulations of both systems yet do not require prior fitting of a PES at any stage. Our approach (implemented in a development version of the Quantics package) opens a route to performing accurate quantum dynamics simulations via wave function propagation of many-dimensional molecular systems in a direct and efficient manner.

Quantum trajectory analysis of multimode subsystem-bath dynamics.

PubMed

Wyatt, Robert E; Na, Kyungsun

2002-01-01

The dynamics of a swarm of quantum trajectories is investigated for systems involving the interaction of an active mode (the subsystem) with an M-mode harmonic reservoir (the bath). Equations of motion for the position, velocity, and action function for elements of the probability fluid are integrated in the Lagrangian (moving with the fluid) picture of quantum hydrodynamics. These fluid elements are coupled through the Bohm quantum potential and as a result evolve as a correlated ensemble. Wave function synthesis along the trajectories permits an exact description of the quantum dynamics for the evolving probability fluid. The approach is fully quantum mechanical and does not involve classical or semiclassical approximations. Computational results are presented for three systems involving the interaction on an active mode with M=1, 10, and 15 bath modes. These results include configuration space trajectory evolution, flux analysis of the evolving ensemble, wave function synthesis along trajectories, and energy partitioning along specific trajectories. These results demonstrate the feasibility of using a small number of quantum trajectories to obtain accurate quantum results on some types of open quantum systems that are not amenable to standard quantum approaches involving basis set expansions or Eulerian space-fixed grids.

A Gaussian Model-Based Probabilistic Approach for Pulse Transit Time Estimation.

PubMed

Jang, Dae-Geun; Park, Seung-Hun; Hahn, Minsoo

2016-01-01

In this paper, we propose a new probabilistic approach to pulse transit time (PTT) estimation using a Gaussian distribution model. It is motivated basically by the hypothesis that PTTs normalized by RR intervals follow the Gaussian distribution. To verify the hypothesis, we demonstrate the effects of arterial compliance on the normalized PTTs using the Moens-Korteweg equation. Furthermore, we observe a Gaussian distribution of the normalized PTTs on real data. In order to estimate the PTT using the hypothesis, we first assumed that R-waves in the electrocardiogram (ECG) can be correctly identified. The R-waves limit searching ranges to detect pulse peaks in the photoplethysmogram (PPG) and to synchronize the results with cardiac beats--i.e., the peaks of the PPG are extracted within the corresponding RR interval of the ECG as pulse peak candidates. Their probabilities of being the actual pulse peak are then calculated using a Gaussian probability function. The parameters of the Gaussian function are automatically updated when a new pulse peak is identified. This update makes the probability function adaptive to variations of cardiac cycles. Finally, the pulse peak is identified as the candidate with the highest probability. The proposed approach is tested on a database where ECG and PPG waveforms are collected simultaneously during the submaximal bicycle ergometer exercise test. The results are promising, suggesting that the method provides a simple but more accurate PTT estimation in real applications.

Tensor-Train Split-Operator Fourier Transform (TT-SOFT) Method: Multidimensional Nonadiabatic Quantum Dynamics.

PubMed

Greene, Samuel M; Batista, Victor S

2017-09-12

We introduce the "tensor-train split-operator Fourier transform" (TT-SOFT) method for simulations of multidimensional nonadiabatic quantum dynamics. TT-SOFT is essentially the grid-based SOFT method implemented in dynamically adaptive tensor-train representations. In the same spirit of all matrix product states, the tensor-train format enables the representation, propagation, and computation of observables of multidimensional wave functions in terms of the grid-based wavepacket tensor components, bypassing the need of actually computing the wave function in its full-rank tensor product grid space. We demonstrate the accuracy and efficiency of the TT-SOFT method as applied to propagation of 24-dimensional wave packets, describing the S 1 /S 2 interconversion dynamics of pyrazine after UV photoexcitation to the S 2 state. Our results show that the TT-SOFT method is a powerful computational approach for simulations of quantum dynamics of polyatomic systems since it avoids the exponential scaling problem of full-rank grid-based representations.

Lattice NRQCD study on in-medium bottomonium spectra using a novel Bayesian reconstruction approach

NASA Astrophysics Data System (ADS)

Kim, Seyong; Petreczky, Peter; Rothkopf, Alexander

2016-01-01

We present recent results on the in-medium modification of S- and P-wave bottomonium states around the deconfinement transition. Our study uses lattice QCD with Nf = 2 + 1 light quark flavors to describe the non-perturbative thermal QCD medium between 140MeV < T < 249MeV and deploys lattice regularized non-relativistic QCD (NRQCD) effective field theory to capture the physics of heavy quark bound states immersed therein. The spectral functions of the 3S1 (ϒ) and 3P1 (χb1) bottomonium states are extracted from Euclidean time Monte Carlo simulations using a novel Bayesian prescription, which provides higher accuracy than the Maximum Entropy Method. Based on a systematic comparison of interacting and free spectral functions we conclude that the ground states of both the S-wave (ϒ) and P-wave (χb1) channel survive up to T = 249MeV. Stringent upper limits on the size of the in-medium modification of bottomonium masses and widths are provided.

Construction of exchange repulsion in terms of the wave functions at QM/MM boundary region

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

Takahashi, Hideaki, E-mail: hideaki@m.tohoku.ac.jp; Umino, Satoru; Morita, Akihiro

2015-08-28

We developed a simple method to calculate exchange repulsion between a quantum mechanical (QM) solute and a molecular mechanical (MM) molecule in the QM/MM approach. In our method, the size parameter in the Buckingham type potential for the QM solute is directly determined in terms of the one-electron wave functions of the solute. The point of the method lies in the introduction of the exchange core function (ECF) defined as a Slater function which mimics the behavior of the exterior electron density at the QM/MM boundary region. In the present paper, the ECF was constructed in terms of the Becke-Rousselmore » (BR) exchange hole function. It was demonstrated that the ECF yielded by the BR procedure can faithfully reproduce the radial behavior of the electron density of a QM solute. The size parameter of the solute as well as the exchange repulsion are, then, obtained using the overlap model without any fitting procedure. To examine the efficiency of the method, it was applied to calculation of the exchange repulsions for minimal QM/MM systems, hydrogen-bonded water dimer, and H{sub 3}O{sup +}–H{sub 2}O. We found that our approach is able to reproduce the potential energy curves for these systems showing reasonable agreements with those given by accurate full quantum chemical calculations.« less

Seismic Velocity Assessment In The Kachchh Region, India, From Multiple Waveform Functionals

NASA Astrophysics Data System (ADS)

Ghosh, R.; Sen, M. K.; Mandal, P.; Pulliam, J.; Agrawal, M.

2014-12-01

The primary goal of this study is to estimate well constrained crust and upper mantle seismic velocity structure in the Kachchh region of Gujarat, India - an area of active interest for earthquake monitoring purposes. Several models based on 'stand-alone' surface wave dispersion and receiver function modeling exist in this area. Here we jointly model the receiver function, surface wave dispersion and, S and shear-coupled PL wavetrains using broadband seismograms of deep (150-700 km), moderate to-large magnitude (5.5-6.8) earthquakes recorded teleseismically at semi-permanent seismograph stations in the Kachchh region, Gujarat, India. While surface wave dispersion and receiver function modeling is computationally fast, full waveform modeling makes use of reflectivity synthetic seismograms. An objective function that measures misfit between all three data is minimized using a very fast simulated annealing (VFSA) approach. Surface wave and receiver function data help reduce the model search space which is explored extensively for detailed waveform fitting. Our estimated crustal and lithospheric thicknesses in this region vary from 32 to 41 km and 70 to 80 km, respectively, while crustal P and S velocities from surface to Moho discontinuity vary from 4.7 to 7.0 km/s and 2.7 to 4.1 km/s, respectively. Our modeling clearly reveals a zone of crustal as well as an asthenospheric upwarping underlying the Kachchh rift zone relative to the surrounding unrifted area. We believe that this feature plays a key role in the seismogenesis of lower crustal earthquakes occurring in the region through the emanation of volatile CO2 into the hypocentral zones liberating from the crystallization of carbonatite melts in the asthenosphere. Such a crust-mantle structure might be related to the plume-lithosphere interaction during the Deccan/Reunion plume episode (~65 Ma).

Advanced numerical technique for analysis of surface and bulk acoustic waves in resonators using periodic metal gratings

NASA Astrophysics Data System (ADS)

Naumenko, Natalya F.

2014-09-01

A numerical technique characterized by a unified approach for the analysis of different types of acoustic waves utilized in resonators in which a periodic metal grating is used for excitation and reflection of such waves is described. The combination of the Finite Element Method analysis of the electrode domain with the Spectral Domain Analysis (SDA) applied to the adjacent upper and lower semi-infinite regions, which may be multilayered and include air as a special case of a dielectric material, enables rigorous simulation of the admittance in resonators using surface acoustic waves, Love waves, plate modes including Lamb waves, Stonely waves, and other waves propagating along the interface between two media, and waves with transient structure between the mentioned types. The matrix formalism with improved convergence incorporated into SDA provides fast and robust simulation for multilayered structures with arbitrary thickness of each layer. The described technique is illustrated by a few examples of its application to various combinations of LiNbO3, isotropic silicon dioxide and silicon with a periodic array of Cu electrodes. The wave characteristics extracted from the admittance functions change continuously with the variation of the film and plate thicknesses over wide ranges, even when the wave nature changes. The transformation of the wave nature with the variation of the layer thicknesses is illustrated by diagrams and contour plots of the displacements calculated at resonant frequencies.

Efficiency of surface plasmon excitation at the photonic crystal – metal interface

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

Kuznetsova, T I; Raspopov, N A

2015-11-30

We report the results of a theoretical investigation of light wave transformation in a one-dimensional photonic crystal. The scheme considered comprises an incident wave directed in parallel with layers of the photonic crystal under an assumption that the wave vector is far from a forbidden zone. Expressions for propagating and evanescent electromagnetic waves in a periodic medium of the photonic crystal are obtained. It is found that the transverse structure of the propagating wave comprises a strong constant component and a weak oscillating component with a period determined by that of the photonic crystal. On the contrary, the dependence ofmore » evanescent waves on transverse coordinates is presented by a strong oscillating component and a weak constant component. The process of transformation of propagating waves to evanescent waves at a crystal – metal interface is investigated. Parameters of the photonic crystal typical for synthetic opals are used in all numerical simulations. The theoretical approach elaborated yields in an explicit form the dependence of the amplitude of a generated surface wave on the period of the dielectric function modulation in the photonic crystal. The results obtained show that in the conditions close to plasmon resonance the amplitude of the surface wave may be on the order of or even exceed that of the initial incident wave. (light wave transformation)« less

Advances in Quantum Trajectory Approaches to Dynamics

NASA Astrophysics Data System (ADS)

Askar, Attila

2001-03-01

The quantum fluid dynamics (QFD) formulation is based on the separation of the amplitude and phase of the complex wave function in Schrodinger's equation. The approach leads to conservation laws for an equivalent "gas continuum". The Lagrangian [1] representation corresponds to following the particles of the fluid continuum, i. e. calculating "quantum trajectories". The Eulerian [2] representation on the other hand, amounts to observing the dynamics of the gas continuum at the points of a fixed coordinate frame. The combination of several factors leads to a most encouraging computational efficiency. QFD enables the numerical analysis to deal with near monotonic amplitude and phase functions. The Lagrangian description concentrates the computation effort to regions of highest probability as an optimal adaptive grid. The Eulerian representation allows the study of multi-coordinate problems as a set of one-dimensional problems within an alternating direction methodology. An explicit time integrator limits the increase in computational effort with the number of discrete points to linear. Discretization of the space via local finite elements [1,2] and global radial functions [3] will be discussed. Applications include wave packets in four-dimensional quadratic potentials and two coordinate photo-dissociation problems for NOCl and NO2. [1] "Quantum fluid dynamics (QFD) in the Lagrangian representation with applications to photo-dissociation problems", F. Sales, A. Askar and H. A. Rabitz, J. Chem. Phys. 11, 2423 (1999) [2] "Multidimensional wave-packet dynamics within the fluid dynamical formulation of the Schrodinger equation", B. Dey, A. Askar and H. A. Rabitz, J. Chem. Phys. 109, 8770 (1998) [3] "Solution of the quantum fluid dynamics equations with radial basis function interpolation", Xu-Guang Hu, Tak-San Ho, H. A. Rabitz and A. Askar, Phys. Rev. E. 61, 5967 (2000)

Transcranial functional ultrasound imaging of the brain using microbubble-enhanced ultrasensitive Doppler

PubMed Central

Errico, Claudia; Osmanski, Bruno-Félix; Pezet, Sophie; Couture, Olivier; Lenkei, Zsolt; Tanter, Mickael

2016-01-01

Functional ultrasound (fUS) is a novel neuroimaging technique, based on high-sensitivity ultrafast Doppler imaging of cerebral blood volume, capable of measuring brain activation and connectivity in rodents with high spatiotemporal resolution (100 μm, 1 ms). However, the skull attenuates acoustic waves, so fUS in rats currently requires craniotomy or a thinned-skull window. Here we propose a non-invasive approach by enhancing the fUS signal with a contrast agent, inert gas microbubbles. Plane-wave illumination of the brain at high frame rate (500 Hz compounded sequence with three tilted plane waves, PRF = 1500Hz with a 128 element 15 MHz linear transducer), yields highly-resolved neurovascular maps. We compared fUS imaging performance through the intact skull bone (transcranial fUS) versus a thinned-skull window in the same animal. First, we show that the vascular network of the adult rat brain can be imaged transcranially only after a bolus intravenous injection of microbubbles, which leads to a 9 dB gain in the contrast-to-tissue ratio. Next, we demonstrate that functional increase in the blood volume of the primary sensory cortex after targeted electrical-evoked stimulations of the sciatic nerve is observable transcranially in presence of contrast agents, with high reproducibility (Pearson's coefficient ρ = 0.7 ± 0.1, p = 0.85). Our work demonstrates that the combination of ultrafast Doppler imaging and injection of contrast agent allows non-invasive functional brain imaging through the intact skull bone in rats. These results should ease non-invasive longitudinal studies in rodents and open a promising perspective for the adoption of highly resolved fUS approaches for the adult human brain. PMID:26416649

Tuning the instrument: sonic properties in the spider's web

PubMed Central

Soler, A.; Siviour, C. R.; Zaera, R.; Vollrath, F.

2016-01-01

Spider orb webs are multifunctional, acting to absorb prey impact energy and transmit vibratory information to the spider. This paper explores the links between silk material properties, propagation of vibrations within webs and the ability of the spider to control and balance web function. Combining experimental and modelling approaches, we contrast transverse and longitudinal wave propagation in the web. It emerged that both transverse and longitudinal wave amplitude in the web can be adjusted through changes in web tension and dragline silk stiffness, i.e. properties that can be controlled by the spider. In particular, we propose that dragline silk supercontraction may have evolved as a control mechanism for these multifunctional fibres. The various degrees of active influence on web engineering reveals the extraordinary ability of spiders to shape the physical properties of their self-made materials and architectures to affect biological functionality, balancing trade-offs between structural and sensory functions. PMID:27605164

Longitudinal dielectric function and dispersion relation of electrostatic waves in relativistic plasmas

NASA Astrophysics Data System (ADS)

Touil, B.; Bendib, A.; Bendib-Kalache, K.

2017-02-01

The longitudinal dielectric function is derived analytically from the relativistic Vlasov equation for arbitrary values of the relevant parameters z = m c 2 / T , where m is the rest electron mass, c is the speed of light, and T is the electron temperature in energy units. A new analytical approach based on the Legendre polynomial expansion and continued fractions was used. Analytical expression of the electron distribution function was derived. The real part of the dispersion relation and the damping rate of electron plasma waves are calculated both analytically and numerically in the whole range of the parameter z . The results obtained improve significantly the previous results reported in the literature. For practical purposes, explicit expressions of the real part of the dispersion relation and the damping rate in the range z > 30 and strongly relativistic regime are also proposed.

Surface phonons and elastic surface waves

NASA Astrophysics Data System (ADS)

Büscher, H.; Klein-Heßling, W.; Ludwig, W.

Theoretical investigations on the dynamics of the (001), (110) and (111) surfaces of some cubic metals (Ag, Cu, Ni) will be reviewed. Both, lattice dynamical and continuum theoretical results are obtained via a Green's function formalism. The main attitude of this paper is the comparison of our results with experiments and with results obtained via slab-calculations. The calculation of elastic surface waves has been performed using a modified surface-green-function-matching method. We have used two different approaches of calculation the bulk Green's function (a) using the spectral representation and (b) a method, what works on residues. The investigations are carried out using shortrange phenomenological potentials. The atomic force constants in the first surface layers are modified to describe surface phonon anomalies, observed by experiments. In the case of Ag (100) and Ag(110) we conclude that the detection of odd symmetry shear modes by Erskine et al. [1 a, b] was not very accurate.

Optical Random Riemann Waves in Integrable Turbulence

NASA Astrophysics Data System (ADS)

Randoux, Stéphane; Gustave, François; Suret, Pierre; El, Gennady

2017-06-01

We examine integrable turbulence (IT) in the framework of the defocusing cubic one-dimensional nonlinear Schrödinger equation. This is done theoretically and experimentally, by realizing an optical fiber experiment in which the defocusing Kerr nonlinearity strongly dominates linear dispersive effects. Using a dispersive-hydrodynamic approach, we show that the development of IT can be divided into two distinct stages, the initial, prebreaking stage being described by a system of interacting random Riemann waves. We explain the low-tailed statistics of the wave intensity in IT and show that the Riemann invariants of the asymptotic nonlinear geometric optics system represent the observable quantities that provide new insight into statistical features of the initial stage of the IT development by exhibiting stationary probability density functions.

Wave propagation in embedded inhomogeneous nanoscale plates incorporating thermal effects

NASA Astrophysics Data System (ADS)

Ebrahimi, Farzad; Barati, Mohammad Reza; Dabbagh, Ali

2018-04-01

In this article, an analytical approach is developed to study the effects of thermal loading on the wave propagation characteristics of an embedded functionally graded (FG) nanoplate based on refined four-variable plate theory. The heat conduction equation is solved to derive the nonlinear temperature distribution across the thickness. Temperature-dependent material properties of nanoplate are graded using Mori-Tanaka model. The nonlocal elasticity theory of Eringen is introduced to consider small-scale effects. The governing equations are derived by the means of Hamilton's principle. Obtained frequencies are validated with those of previously published works. Effects of different parameters such as temperature distribution, foundation parameters, nonlocal parameter, and gradient index on the wave propagation response of size-dependent FG nanoplates have been investigated.

Highly Efficient Proteolysis Accelerated by Electromagnetic Waves for Peptide Mapping

PubMed Central

Chen, Qiwen; Liu, Ting; Chen, Gang

2011-01-01

Proteomics will contribute greatly to the understanding of gene functions in the post-genomic era. In proteome research, protein digestion is a key procedure prior to mass spectrometry identification. During the past decade, a variety of electromagnetic waves have been employed to accelerate proteolysis. This review focuses on the recent advances and the key strategies of these novel proteolysis approaches for digesting and identifying proteins. The subjects covered include microwave-accelerated protein digestion, infrared-assisted proteolysis, ultraviolet-enhanced protein digestion, laser-assisted proteolysis, and future prospects. It is expected that these novel proteolysis strategies accelerated by various electromagnetic waves will become powerful tools in proteome research and will find wide applications in high throughput protein digestion and identification. PMID:22379392

Raman Optical Activity Spectra from Density Functional Perturbation Theory and Density-Functional-Theory-Based Molecular Dynamics.

PubMed

Luber, Sandra

2017-03-14

We describe the calculation of Raman optical activity (ROA) tensors from density functional perturbation theory, which has been implemented into the CP2K software package. Using the mixed Gaussian and plane waves method, ROA spectra are evaluated in the double-harmonic approximation. Moreover, an approach for the calculation of ROA spectra by means of density functional theory-based molecular dynamics is derived and used to obtain an ROA spectrum via time correlation functions, which paves the way for the calculation of ROA spectra taking into account anharmonicities and dynamic effects at ambient conditions.

A gradient-based model parametrization using Bernstein polynomials in Bayesian inversion of surface wave dispersion

NASA Astrophysics Data System (ADS)

Gosselin, Jeremy M.; Dosso, Stan E.; Cassidy, John F.; Quijano, Jorge E.; Molnar, Sheri; Dettmer, Jan

2017-10-01

This paper develops and applies a Bernstein-polynomial parametrization to efficiently represent general, gradient-based profiles in nonlinear geophysical inversion, with application to ambient-noise Rayleigh-wave dispersion data. Bernstein polynomials provide a stable parametrization in that small perturbations to the model parameters (basis-function coefficients) result in only small perturbations to the geophysical parameter profile. A fully nonlinear Bayesian inversion methodology is applied to estimate shear wave velocity (VS) profiles and uncertainties from surface wave dispersion data extracted from ambient seismic noise. The Bayesian information criterion is used to determine the appropriate polynomial order consistent with the resolving power of the data. Data error correlations are accounted for in the inversion using a parametric autoregressive model. The inversion solution is defined in terms of marginal posterior probability profiles for VS as a function of depth, estimated using Metropolis-Hastings sampling with parallel tempering. This methodology is applied to synthetic dispersion data as well as data processed from passive array recordings collected on the Fraser River Delta in British Columbia, Canada. Results from this work are in good agreement with previous studies, as well as with co-located invasive measurements. The approach considered here is better suited than `layered' modelling approaches in applications where smooth gradients in geophysical parameters are expected, such as soil/sediment profiles. Further, the Bernstein polynomial representation is more general than smooth models based on a fixed choice of gradient type (e.g. power-law gradient) because the form of the gradient is determined objectively by the data, rather than by a subjective parametrization choice.

Phase Imaging: A Compressive Sensing Approach

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

Schneider, Sebastian; Stevens, Andrew; Browning, Nigel D.

Since Wolfgang Pauli posed the question in 1933, whether the probability densities |Ψ(r)|² (real-space image) and |Ψ(q)|² (reciprocal space image) uniquely determine the wave function Ψ(r) [1], the so called Pauli Problem sparked numerous methods in all fields of microscopy [2, 3]. Reconstructing the complete wave function Ψ(r) = a(r)e-iφ(r) with the amplitude a(r) and the phase φ(r) from the recorded intensity enables the possibility to directly study the electric and magnetic properties of the sample through the phase. In transmission electron microscopy (TEM), electron holography is by far the most established method for phase reconstruction [4]. Requiring a highmore » stability of the microscope, next to the installation of a biprism in the TEM, holography cannot be applied to any microscope straightforwardly. Recently, a phase retrieval approach was proposed using conventional TEM electron diffractive imaging (EDI). Using the SAD aperture as reciprocal-space constraint, a localized sample structure can be reconstructed from its diffraction pattern and a real-space image using the hybrid input-output algorithm [5]. We present an alternative approach using compressive phase-retrieval [6]. Our approach does not require a real-space image. Instead, random complimentary pairs of checkerboard masks are cut into a 200 nm Pt foil covering a conventional TEM aperture (cf. Figure 1). Used as SAD aperture, subsequently diffraction patterns are recorded from the same sample area. Hereby every mask blocks different parts of gold particles on a carbon support (cf. Figure 2). The compressive sensing problem has the following formulation. First, we note that the complex-valued reciprocal-space wave-function is the Fourier transform of the (also complex-valued) real-space wave-function, Ψ(q) = F[Ψ(r)], and subsequently the diffraction pattern image is given by |Ψ(q)|2 = |F[Ψ(r)]|2. We want to find Ψ(r) given a few differently coded diffraction pattern measurements yn = |F[HnΨ(r)]|2, where the matrices Hn encode the mask structure of the aperture. This is a nonlinear inverse problem, but has been shown to be solvable even in the underdetermined case [6]. Since each diffraction pattern yn contains diffraction information from selected regions of the same sample, the differences in each pattern contain local phase information, which can be combined to form a full estimate of the real-space wave-function[7]. References: [1] W. Pauli in “Die allgemeinen Prinzipien der Wellenmechanik“, ed. H Geiger and W Scheel, (Julius Springer, Berlin). [2] A. Tonomura, Rev. Mod. Phys. 59 (1987), p. 639. [3] J. Miao et al, Nature 400 (1999), p. 342. [4] H. Lichte et al, Annu. Rev. Mater. Res. 37 (2007), p. 539. [5] J. Yamasaki et al, Appl. Phys. Lett. 101 (2012), 234105. [6] P Schniter and S Rangan. Signal Proc., IEEE Trans. on. 64(4), (2015), pp. 1043. [7] Supported by the Chemical Imaging, Signature Discovery, and Analytics in Motion initiatives at PNNL. PNNL is operated by Battelle Memorial Inst. for the US DOE; contract DE-AC05-76RL01830.« less

A Review of the Scattering-Parameter Extraction Method with Clarification of Ambiguity Issues in Relation to Metamaterial Homogenization

NASA Astrophysics Data System (ADS)

Arslanagic, S.; Hansen, T. V.; Mortensen, N. A.; Gregersen, A. H.; Sigmund, O.; Ziolkowski, R. W.; Breinbjerg, O.

2013-04-01

The scattering parameter extraction method of metamaterial homogenization is reviewed to show that the only ambiguity is the one related to the choice of the branch of the complex logarithmic function (or the complex inverse cosine function), whereas it has no ambiguity for the sign of the wave number and intrinsic impedance. While the method indeed yields two signs of the intrinsic impedance, and thus the wave number, the signs are dependent, and moreover, both sign combinations lead to the same permittivity and permeability, and are thus permissible. This observation is in distinct contrast to a number of statements in the literature where the correct sign of the intrinsic impedance and wave number, resulting from the scattering parameter method, is chosen by imposing additional physical requirements such as passivity. The scattering parameter method is reviewed through an investigation of a uniform plane wave normally incident on a planar slab in free-space, and the severity of the branch ambiguity is illustrated through simulations of a known metamaterial realization. Several approaches for proper branch selection are reviewed and their suitability to metamaterial samples is discussed.

Projector Augmented-Wave formulation of response to strain and electric field perturbation within the density-functional perturbation theory

NASA Astrophysics Data System (ADS)

Martin, Alexandre; Torrent, Marc; Caracas, Razvan

2015-03-01

A formulation of the response of a system to strain and electric field perturbations in the pseudopotential-based density functional perturbation theory (DFPT) has been proposed by D.R Hamman and co-workers. It uses an elegant formalism based on the expression of DFT total energy in reduced coordinates, the key quantity being the metric tensor and its first and second derivatives. We propose to extend this formulation to the Projector Augmented-Wave approach (PAW). In this context, we express the full elastic tensor including the clamped-atom tensor, the atomic-relaxation contributions (internal stresses) and the response to electric field change (piezoelectric tensor and effective charges). With this we are able to compute the elastic tensor for all materials (metals and insulators) within a fully analytical formulation. The comparison with finite differences calculations on simple systems shows an excellent agreement. This formalism has been implemented in the plane-wave based DFT ABINIT code. We apply it to the computation of elastic properties and seismic-wave velocities of iron with impurity elements. By analogy with the materials contained in meteorites, tested impurities are light elements (H, O, C, S, Si).

Bäcklund transformation, infinitely-many conservation laws, solitary and periodic waves of an extended (3 + 1)-dimensional Jimbo-Miwa equation with time-dependent coefficients

NASA Astrophysics Data System (ADS)

Deng, Gao-Fu; Gao, Yi-Tian; Gao, Xin-Yi

2018-07-01

In this paper, an extended (3+1)-dimensional Jimbo-Miwa equation with time-dependent coefficients is investigated, which comes from the second member of the Kadomtsev-Petviashvili hierarchy and is shown to be conditionally integrable. Bilinear form, Bäcklund transformation, Lax pair and infinitely-many conservation laws are derived via the binary Bell polynomials and symbolic computation. With the help of the bilinear form, one-, two- and three-soliton solutions are obtained via the Hirota method, one-periodic wave solutions are constructed via the Riemann theta function. Additionally, propagation and interaction of the solitons are investigated analytically and graphically, from which we find that the interaction between the solitons is elastic and the time-dependent coefficients can affect the soliton velocities, but the soliton amplitudes remain unchanged. One-periodic waves approach the one-solitary waves with the amplitudes vanishing and can be viewed as a superposition of the overlapping solitary waves, placed one period apart.

Green-Naghdi dynamics of surface wind waves in finite depth

NASA Astrophysics Data System (ADS)

Manna, M. A.; Latifi, A.; Kraenkel, R. A.

2018-04-01

The Miles’ quasi laminar theory of waves generation by wind in finite depth h is presented. In this context, the fully nonlinear Green-Naghdi model equation is derived for the first time. This model equation is obtained by the non perturbative Green-Naghdi approach, coupling a nonlinear evolution of water waves with the atmospheric dynamics which works as in the classic Miles’ theory. A depth-dependent and wind-dependent wave growth γ is drawn from the dispersion relation of the coupled Green-Naghdi model with the atmospheric dynamics. Different values of the dimensionless water depth parameter δ = gh/U 1, with g the gravity and U 1 a characteristic wind velocity, produce two families of growth rate γ in function of the dimensionless theoretical wave-age c 0: a family of γ with h constant and U 1 variable and another family of γ with U 1 constant and h variable. The allowed minimum and maximum values of γ in this model are exhibited.

Method for enhancing the resolving power of ion mobility separations over a limited mobility range

DOEpatents

Shvartsburg, Alexandre A; Tang, Keqi; Smith, Richard D

2014-09-23

A method for raising the resolving power, specificity, and peak capacity of conventional ion mobility spectrometry is disclosed. Ions are separated in a dynamic electric field comprising an oscillatory field wave and opposing static field, or at least two counter propagating waves with different parameters (amplitude, profile, frequency, or speed). As the functional dependencies of mean drift velocity on the ion mobility in a wave and static field or in unequal waves differ, only single species is equilibrated while others drift in either direction and are mobility-separated. An ion mobility spectrum over a limited range is then acquired by measuring ion drift times through a fixed distance inside the gas-filled enclosure. The resolving power in the vicinity of equilibrium mobility substantially exceeds that for known traveling-wave or drift-tube IMS separations, with spectra over wider ranges obtainable by stitching multiple segments. The approach also enables low-cutoff, high-cutoff, and bandpass ion mobility filters.

Efficient techniques for wave-based sound propagation in interactive applications

NASA Astrophysics Data System (ADS)

Mehra, Ravish

Sound propagation techniques model the effect of the environment on sound waves and predict their behavior from point of emission at the source to the final point of arrival at the listener. Sound is a pressure wave produced by mechanical vibration of a surface that propagates through a medium such as air or water, and the problem of sound propagation can be formulated mathematically as a second-order partial differential equation called the wave equation. Accurate techniques based on solving the wave equation, also called the wave-based techniques, are too expensive computationally and memory-wise. Therefore, these techniques face many challenges in terms of their applicability in interactive applications including sound propagation in large environments, time-varying source and listener directivity, and high simulation cost for mid-frequencies. In this dissertation, we propose a set of efficient wave-based sound propagation techniques that solve these three challenges and enable the use of wave-based sound propagation in interactive applications. Firstly, we propose a novel equivalent source technique for interactive wave-based sound propagation in large scenes spanning hundreds of meters. It is based on the equivalent source theory used for solving radiation and scattering problems in acoustics and electromagnetics. Instead of using a volumetric or surface-based approach, this technique takes an object-centric approach to sound propagation. The proposed equivalent source technique generates realistic acoustic effects and takes orders of magnitude less runtime memory compared to prior wave-based techniques. Secondly, we present an efficient framework for handling time-varying source and listener directivity for interactive wave-based sound propagation. The source directivity is represented as a linear combination of elementary spherical harmonic sources. This spherical harmonic-based representation of source directivity can support analytical, data-driven, rotating or time-varying directivity function at runtime. Unlike previous approaches, the listener directivity approach can be used to compute spatial audio (3D audio) for a moving, rotating listener at interactive rates. Lastly, we propose an efficient GPU-based time-domain solver for the wave equation that enables wave simulation up to the mid-frequency range in tens of minutes on a desktop computer. It is demonstrated that by carefully mapping all the components of the wave simulator to match the parallel processing capabilities of the graphics processors, significant improvement in performance can be achieved compared to the CPU-based simulators, while maintaining numerical accuracy. We validate these techniques with offline numerical simulations and measured data recorded in an outdoor scene. We present results of preliminary user evaluations conducted to study the impact of these techniques on user's immersion in virtual environment. We have integrated these techniques with the Half-Life 2 game engine, Oculus Rift head-mounted display, and Xbox game controller to enable users to experience high-quality acoustics effects and spatial audio in the virtual environment.

Full Waveform 2.5D Teleseismic Surface Wave Tomography with Application to the Tien Shan

NASA Astrophysics Data System (ADS)

Roecker, S. W.; Priestley, K. F.; Baker, B. I.

2011-12-01

We adapt the 2.5D spectral domain finite difference waveform tomography algorithm of Roecker et al. (2010) to permit the analysis of teleseismically recorded surface waves. The teleseismic body wave technique of generating synthetic waveforms by specifying an analytic solution for a background wavefield in a 1D model and solving for a scattered field excited by this background is equally applicable to surface waves. We use the locked mode approach of Gomberg and Masters (1988) to calculate the background Greens functions at each point of the finite difference (FD) grid. Because of the much greater concentration of energy at the surface, we adopt the cell-based FD operators of Min et al. (2004) to calculate the free surface boundary conditions, and the generalized stretching function of Komatitch and Martin (2007) to improve the absorption in the PML. We use this algorithm to analyze broad band seismograms of events in Sumatra recorded by the MANAS array in the Tien Shan. Our results show that the upper mantle beneath much of the central Tien Shan has shear wavespeeds at least 10% lower than the lithosphere beneath the Tarim basin to the south or the Kazach shield to the north. At the same time, there appears to be a remnant lithospheric lid beneath the Kyrgyz range in the north, an observation consistent with previous receiver function studies in this area.

Plasma waves at comet 67P/Churyumov-Gerasimenko: in the diamagnetic cavity and outside it

NASA Astrophysics Data System (ADS)

Gunell, Herbert; Altwegg, Kathrin; Cessateur, Gaël; De Keyser, Johan; Dhooghe, Frederik; Eriksson, Anders; Gibbons, Andrew; Glassmeier, Karl-Heinz; Goetz, Charlotte; Karlsson, Tomas; Hamrin, Maria; Henri, Pierre; Maggiolo, Romain; Nilsson, Hans; Odelstad, Elias; Rubin, Martin; Wedlund, Cyril Simon; Stenberg Wieser, Gabriella; Tzou, Chia-Yu; Vallieres, Xavier

2017-04-01

We present observations of waves at Comet 67P/Churyumov-Gerasimenko performed on 20 January 2015, when the activity of the comet was low, and in July and August 2015 when the activity had increased and the Rosetta spacecraft passed through the diamagnetic cavity several times. We use distribution functions obtained by the Ion Composition Analyser of the Rosetta Plasma Consortium (RPC-ICA) and electron temperature estimates from the Langmuir Probes (RPC-LAP) to compute dispersion relations for waves on the ion timescale, and we compare the results to spectra obtained by RPC-LAP. On 20 January 2015, at low activity, peaks of the wave spectra appeared at frequencies near 500 Hz, and we identify these waves as ion acoustic. We performed cross-calibrations between RPC-ICA, RPC-LAP, and the Mutual Impedance Probe (RPC-MIP) in order to determine the plasma density. Matching the dispersion relations to the wave observations also helps us estimating the density. We explore the relationship between the waves, the ion distribution functions, and the neutral density, which was measured by the ROSINA-COPS instrument. It is found that when the waves are seen, the ion temperature is low (approximately 0.01 eV). At times the ion temperature is higher (approximately 1 eV), approaching the electron temperature, which leads to strong damping of the ion acoustic waves. This happens when the neutral density is high, suggesting that the ions are heated by being accelerated by the solar wind electric field and scattered in collisions with the neutrals. These results are compared to measurements of wave spectra when Rosetta was inside the diamagnetic cavity in July and August 2015. In the cavity, the plasma is effectively unmagnetised. We identify cavity passages using the magnetometer RPC-MAG. The waves are analysed in the same way as in the earlier measurements outside the cavity, and the two cases are compared.

Anisotropic Lithospheric layering in the North American craton, revealed by Bayesian inversion of short and long period data

NASA Astrophysics Data System (ADS)

Roy, Corinna; Calo, Marco; Bodin, Thomas; Romanowicz, Barbara

2016-04-01

Competing hypotheses for the formation and evolution of continents are highly under debate, including the theory of underplating by hot plumes or accretion by shallow subduction in continental or arc settings. In order to support these hypotheses, documenting structural layering in the cratonic lithosphere becomes especially important. Recent studies of seismic-wave receiver function data have detected a structural boundary under continental cratons at 100-140 km depths, which is too shallow to be consistent with the lithosphere-asthenosphere boundary, as inferred from seismic tomography and other geophysical studies. This leads to the conclusion that 1) the cratonic lithosphere may be thinner than expected, contradicting tomographic and other geophysical or geochemical inferences, or 2) that the receiver function studies detect a mid-lithospheric discontinuity rather than the LAB. On the other hand, several recent studies documented significant changes in the direction of azimuthal anisotropy with depth that suggest layering in the anisotropic structure of the stable part of the North American continent. In particular, Yuan and Romanowicz (2010) combined long period surface wave and overtone data with core refracted shear wave (SKS) splitting measurements in a joint tomographic inversion. A question that arises is whether the anisotropic layering observed coincides with that obtained from receiver function studies. To address this question, we use a trans-dimensional Markov-chain Monte Carlo (MCMC) algorithm to generate probabilistic 1D radially and azimuthal anisotropic shear wave velocity profiles for selected stations in North America. In the algorithm we jointly invert short period (Ps Receiver Functions, surface wave dispersion for Love and Rayleigh waves) and long period data (SKS waveforms). By including three different data types, which sample different volumes of the Earth and have different sensitivities to 
structure, we overcome the problem of incompatible interpretations of models provided by only one data set. The resulting 1D profiles include both isotropic and anisotropic discontinuities in the upper mantle (above 350 km depth). The huge advantage of our procedure is the avoidance of any intermediate processing steps such as numerical deconvolution or the calculation of splitting parameters, which can be very sensitive to noise. Additionally, the number of layers, as well as the data noise and the presence of anisotropy are treated as unknowns in the transdimensional Monte Carlo Markov chain algorithm. We recently demonstrated the power of this approach in the case of two stations located in different tectonic settings (Bodin et al., 2015, submitted). Here we extend this approach to a broader range of settings within the north American continent.

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.

Suppressing Ionic Terms with Number-Counting Jastrow Factors in Real Space

DOE PAGES

Goetz, Brett Van Der; Neuscamman, Eric

2017-04-06

Here, we demonstrate that four-body real-space Jastrow factors are, with the right type of Jastrow basis function, capable of performing successful wave function stenciling to remove unwanted ionic terms from an overabundant Fermionic reference without unduly modifying the remaining components. In addition to greatly improving size consistency (restoring it exactly in the case of a geminal power), real-space wave function stenciling is, unlike its Hilbert-space predecessors, immediately compatible with diffusion Monte Carlo, allowing it to be used in the pursuit of compact, strongly correlated trial functions with reliable nodal surfaces. Furthermore, we demonstrate the efficacy of this approach in themore » context of a double bond dissociation by using it to extract a qualitatively correct nodal surface despite being paired with a restricted Slater determinant, that, due to ionic term errors, produces a ground state with a qualitatively incorrect nodal surface when used in the absence of the Jastrow.« less

Suppressing Ionic Terms with Number-Counting Jastrow Factors in Real Space

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

Goetz, Brett Van Der; Neuscamman, Eric

Here, we demonstrate that four-body real-space Jastrow factors are, with the right type of Jastrow basis function, capable of performing successful wave function stenciling to remove unwanted ionic terms from an overabundant Fermionic reference without unduly modifying the remaining components. In addition to greatly improving size consistency (restoring it exactly in the case of a geminal power), real-space wave function stenciling is, unlike its Hilbert-space predecessors, immediately compatible with diffusion Monte Carlo, allowing it to be used in the pursuit of compact, strongly correlated trial functions with reliable nodal surfaces. Furthermore, we demonstrate the efficacy of this approach in themore » context of a double bond dissociation by using it to extract a qualitatively correct nodal surface despite being paired with a restricted Slater determinant, that, due to ionic term errors, produces a ground state with a qualitatively incorrect nodal surface when used in the absence of the Jastrow.« less

Six Impossible Things: Fractional Charge From Laughlin's Wave Function

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

Shrivastava, Keshav N.

2010-12-23

The Laughlin's wave function is found to be the zero-energy ground state of a {delta}-function Hamiltonian. The finite negative value of the ground state energy which is 91 per cent of Wigner value, can be obtained only when Coulomb correlations are introduced. The Laughlin's wave function is of short range and it overlaps with that of the exact wave functions of small (number of electrons 2 or 5) systems. (i) It is impossible to obtain fractional charge from Laughlin's wave function. (ii) It is impossible to prove that the Laughlin's wave function gives the ground state of the Coulomb Hamiltonian.more » (iii) It is impossible to have particle-hole symmetry in the Laughlin's wave function. (iv) It is impossible to derive the value of m in the Laughlin's wave function. The value of m in {psi}{sub m} can not be proved to be 3 or 5. (v) It is impossible to prove that the Laughlin's state is incompressible because the compressible states are also likely. (vi) It is impossible for the Laughlin's wave function to have spin. This effort is directed to explain the experimental data of quantum Hall effect in GaAs/AlGaAs.« less

Reconstruction of the sea surface elevation from the analysis of the data collected by a wave radar system

NASA Astrophysics Data System (ADS)

Ludeno, Giovanni; Soldovieri, Francesco; Serafino, Francesco; Lugni, Claudio; Fucile, Fabio; Bulian, Gabriele

2016-04-01

X-band radar system is able to provide information about direction and intensity of the sea surface currents and dominant waves in a range of few kilometers from the observation point (up to 3 nautical miles). This capability, together with their flexibility and low cost, makes these devices useful tools for the sea monitoring either coastal or off-shore area. The data collected from wave radar system can be analyzed by using the inversion strategy presented in [1,2] to obtain the estimation of the following sea parameters: peak wave direction; peak period; peak wavelength; significant wave height; sea surface current and bathymetry. The estimation of the significant wave height represents a limitation of the wave radar system because of the radar backscatter is not directly related to the sea surface elevation. In fact, in the last period, substantial research has been carried out to estimate significant wave height from radar images either with or without calibration using in-situ measurements. In this work, we will present two alternative approaches for the reconstruction of the sea surface elevation from wave radar images. In particular, the first approach is based on the basis of an approximated version of the modulation transfer function (MTF) tuned from a series of numerical simulation, following the line of[3]. The second approach is based on the inversion of radar images using a direct regularised least square technique. Assuming a linearised model for the tilt modulation, the sea elevation has been reconstructed as a least square fitting of the radar imaging data[4]. References [1]F. Serafino, C. Lugni, and F. Soldovieri, "A novel strategy for the surface current determination from marine X-band radar data," IEEE Geosci.Remote Sens. Lett., vol. 7, no. 2, pp. 231-235, Apr. 2010. [2]Ludeno, G., Brandini, C., Lugni, C., Arturi, D., Natale, A., Soldovieri, F., Serafino, F. (2014). Remocean System for the Detection of the Reflected Waves from the Costa Concordia Ship Wreck. IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing, 7(7). [3]Nieto Borge, J., Rodriguez, G.R., Hessner, K., González, P.I., (2004). Inversion of Marine Radar Images for Surface Wave Analysis. J. Atmos. Oceanic Technol. 21, 1291-1300. [4] Fucile, F., Ludeno, G., Serafino, F.,Bulian, G., Soldovieri, F., Lugni, C. "Some challenges in recovering wave features from a wave radar system". Paper submitted to the International Ocean and Polar Engineering Conference, ISOPE, Rhodes 2016

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.

Quantitative modeling of coupled piezo-elastodynamic behavior of piezoelectric actuators bonded to an elastic medium for structural health monitoring: a review.

PubMed

Huang, Guoliang; Song, Fei; Wang, Xiaodong

2010-01-01

Elastic waves, especially guided waves, generated by a piezoelectric actuator/sensor network, have shown great potential for on-line health monitoring of advanced aerospace, nuclear, and automotive structures in recent decades. Piezoelectric materials can function as both actuators and sensors in these applications due to wide bandwidth, quick response and low costs. One of the most fundamental issues surrounding the effective use of piezoelectric actuators is the quantitative evaluation of the resulting elastic wave propagation by considering the coupled piezo-elastodynamic behavior between the actuator and the host medium. Accurate characterization of the local interfacial stress distribution between the actuator and the host medium is the key issue for the problem. This paper presents a review of the development of analytical, numerical and hybrid approaches for modeling of the coupled piezo-elastodynamic behavior. The resulting elastic wave propagation for structural health monitoring is also summarized.

Wavefront modulation and subwavelength diffractive acoustics with an acoustic metasurface.

PubMed

Xie, Yangbo; Wang, Wenqi; Chen, Huanyang; Konneker, Adam; Popa, Bogdan-Ioan; Cummer, Steven A

2014-11-24

Metasurfaces are a family of novel wavefront-shaping devices with planar profile and subwavelength thickness. Acoustic metasurfaces with ultralow profile yet extraordinary wave manipulating properties would be highly desirable for improving the performance of many acoustic wave-based applications. However, designing acoustic metasurfaces with similar functionality to their electromagnetic counterparts remains challenging with traditional metamaterial design approaches. Here we present a design and realization of an acoustic metasurface based on tapered labyrinthine metamaterials. The demonstrated metasurface can not only steer an acoustic beam as expected from the generalized Snell's law, but also exhibits various unique properties such as conversion from propagating wave to surface mode, extraordinary beam-steering and apparent negative refraction through higher-order diffraction. Such designer acoustic metasurfaces provide a new design methodology for acoustic signal modulation devices and may be useful for applications such as acoustic imaging, beam steering, ultrasound lens design and acoustic surface wave-based applications.

Application of finite element approach to transonic flow problems

NASA Technical Reports Server (NTRS)

Hafez, M. M.; Murman, E. M.; Wellford, L. C., Jr.

1976-01-01

A variational finite element model for transonic small disturbance calculations is described. Different strategy is adopted in subsonic and supersonic regions, and blending elements are introduced between different regions. In the supersonic region, no upstream effect is allowed. If rectangular elements with linear shape functions are used, the model is similar to Murman's finite difference operators. Higher order shape functions, nonrectangular elements, and discontinuous approximation of shock waves are also discussed.

Determining attenuation properties of interfering fast and slow ultrasonic waves in cancellous bone.

PubMed

Nelson, Amber M; Hoffman, Joseph J; Anderson, Christian C; Holland, Mark R; Nagatani, Yoshiki; Mizuno, Katsunori; Matsukawa, Mami; Miller, James G

2011-10-01

Previous studies have shown that interference between fast waves and slow waves can lead to observed negative dispersion in cancellous bone. In this study, the effects of overlapping fast and slow waves on measurements of the apparent attenuation as a function of propagation distance are investigated along with methods of analysis used to determine the attenuation properties. Two methods are applied to simulated data that were generated based on experimentally acquired signals taken from a bovine specimen. The first method uses a time-domain approach that was dictated by constraints imposed by the partial overlap of fast and slow waves. The second method uses a frequency-domain log-spectral subtraction technique on the separated fast and slow waves. Applying the time-domain analysis to the broadband data yields apparent attenuation behavior that is larger in the early stages of propagation and decreases as the wave travels deeper. In contrast, performing frequency-domain analysis on the separated fast waves and slow waves results in attenuation coefficients that are independent of propagation distance. Results suggest that features arising from the analysis of overlapping two-mode data may represent an alternate explanation for the previously reported apparent dependence on propagation distance of the attenuation coefficient of cancellous bone. © 2011 Acoustical Society of America

Determining attenuation properties of interfering fast and slow ultrasonic waves in cancellous bone

PubMed Central

Nelson, Amber M.; Hoffman, Joseph J.; Anderson, Christian C.; Holland, Mark R.; Nagatani, Yoshiki; Mizuno, Katsunori; Matsukawa, Mami; Miller, James G.

2011-01-01

Previous studies have shown that interference between fast waves and slow waves can lead to observed negative dispersion in cancellous bone. In this study, the effects of overlapping fast and slow waves on measurements of the apparent attenuation as a function of propagation distance are investigated along with methods of analysis used to determine the attenuation properties. Two methods are applied to simulated data that were generated based on experimentally acquired signals taken from a bovine specimen. The first method uses a time-domain approach that was dictated by constraints imposed by the partial overlap of fast and slow waves. The second method uses a frequency-domain log-spectral subtraction technique on the separated fast and slow waves. Applying the time-domain analysis to the broadband data yields apparent attenuation behavior that is larger in the early stages of propagation and decreases as the wave travels deeper. In contrast, performing frequency-domain analysis on the separated fast waves and slow waves results in attenuation coefficients that are independent of propagation distance. Results suggest that features arising from the analysis of overlapping two-mode data may represent an alternate explanation for the previously reported apparent dependence on propagation distance of the attenuation coefficient of cancellous bone. PMID:21973378

Preliminary study of slow and fast ultrasonic waves using MR images of trabecular bone phantom

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

Solis-Najera, S. E., E-mail: solisnajera@ciencias.unam.mx, E-mail: angel.perez@ciencias.unam.mx, E-mail: lucia.medina@ciencias.unam.mx; Neria-Pérez, J. A., E-mail: solisnajera@ciencias.unam.mx, E-mail: angel.perez@ciencias.unam.mx, E-mail: lucia.medina@ciencias.unam.mx; Medina, L., E-mail: solisnajera@ciencias.unam.mx, E-mail: angel.perez@ciencias.unam.mx, E-mail: lucia.medina@ciencias.unam.mx

Cancellous bone is a complex tissue that performs physiological and biomechanical functions in all vertebrates. It is made up of trabeculae that, from a simplified structural viewpoint, can be considered as plates and beams in a hyperstatic structure that change with time leading to osteoporosis. Several methods has been developed to study the trabecular bone microstructure among them is the Biot’s model which predicts the existence of two longitudinal waves in porous media; the slow and the fast waves, that can be related to porosity of the media. This paper is focused on the experimental detection of the two Biot’smore » waves of a trabecular bone phantom, consisting of a trabecular network of inorganic hydroxyapatite. Experimental measurements of both waves were performed using through transmission ultrasound. Results had shown clearly that the propagation of two waves propagation is transversal to the trabecular alignment. Otherwise the waves are overlapped and a single wave seems to be propagated. To validate these results, magnetic resonance images were acquired to assess the trabecular direction, and to assure that the pulses correspond to the slow and fast waves. This approach offers a methodology for non-invasive studies of trabecular bones.« less

Electronically-Controlled Beam-Steering through Vanadium Dioxide Metasurfaces

PubMed Central

Hashemi, Mohammed Reza M.; Yang, Shang-Hua; Wang, Tongyu; Sepúlveda, Nelson; Jarrahi, Mona

2016-01-01

Engineered metamaterials offer unique functionalities for manipulating the spectral and spatial properties of electromagnetic waves in unconventional ways. Here, we report a novel approach for making reconfigurable metasurfaces capable of deflecting electromagnetic waves in an electronically controllable fashion. This is accomplished by tilting the phase front of waves through a two-dimensional array of resonant metasurface unit-cells with electronically-controlled phase-change materials embedded inside. Such metasurfaces can be placed at the output facet of any electromagnetic radiation source to deflect electromagnetic waves at a desired frequency, ranging from millimeter-wave to far-infrared frequencies. Our design does not use any mechanical elements, external light sources, or reflectarrays, creating, for the first time, a highly robust and fully-integrated beam-steering device solution. We demonstrate a proof-of-concept beam-steering metasurface optimized for operation at 100 GHz, offering up to 44° beam deflection in both horizontal and vertical directions. Dynamic control of electromagnetic wave propagation direction through this unique platform could be transformative for various imaging, sensing, and communication applications, among others. PMID:27739471

An intelligent signal processing and pattern recognition technique for defect identification using an active sensor network

NASA Astrophysics Data System (ADS)

Su, Zhongqing; Ye, Lin

2004-08-01

The practical utilization of elastic waves, e.g. Rayleigh-Lamb waves, in high-performance structural health monitoring techniques is somewhat impeded due to the complicated wave dispersion phenomena, the existence of multiple wave modes, the high susceptibility to diverse interferences, the bulky sampled data and the difficulty in signal interpretation. An intelligent signal processing and pattern recognition (ISPPR) approach using the wavelet transform and artificial neural network algorithms was developed; this was actualized in a signal processing package (SPP). The ISPPR technique comprehensively functions as signal filtration, data compression, characteristic extraction, information mapping and pattern recognition, capable of extracting essential yet concise features from acquired raw wave signals and further assisting in structural health evaluation. For validation, the SPP was applied to the prediction of crack growth in an alloy structural beam and construction of a damage parameter database for defect identification in CF/EP composite structures. It was clearly apparent that the elastic wave propagation-based damage assessment could be dramatically streamlined by introduction of the ISPPR technique.

Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

NASA Technical Reports Server (NTRS)

Huang, K.-N.

1977-01-01

A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

Regular and singular pulse and front solutions and possible isochronous behavior in the short-pulse equation: Phase-plane, multi-infinite series and variational approaches

NASA Astrophysics Data System (ADS)

Gambino, G.; Tanriver, U.; Guha, P.; Choudhury, A. Ghose; Choudhury, S. Roy

2015-02-01

In this paper we employ three recent analytical approaches to investigate the possible classes of traveling wave solutions of some members of a family of so-called short-pulse equations (SPE). A recent, novel application of phase-plane analysis is first employed to show the existence of breaking kink wave solutions in certain parameter regimes. Secondly, smooth traveling waves are derived using a recent technique to derive convergent multi-infinite series solutions for the homoclinic (heteroclinic) orbits of the traveling-wave equations for the SPE equation, as well as for its generalized version with arbitrary coefficients. These correspond to pulse (kink or shock) solutions respectively of the original PDEs. We perform many numerical tests in different parameter regime to pinpoint real saddle equilibrium points of the corresponding traveling-wave equations, as well as ensure simultaneous convergence and continuity of the multi-infinite series solutions for the homoclinic/heteroclinic orbits anchored by these saddle points. Unlike the majority of unaccelerated convergent series, high accuracy is attained with relatively few terms. And finally, variational methods are employed to generate families of both regular and embedded solitary wave solutions for the SPE PDE. The technique for obtaining the embedded solitons incorporates several recent generalizations of the usual variational technique and it is thus topical in itself. One unusual feature of the solitary waves derived here is that we are able to obtain them in analytical form (within the assumed ansatz for the trial functions). Thus, a direct error analysis is performed, showing the accuracy of the resulting solitary waves. Given the importance of solitary wave solutions in wave dynamics and information propagation in nonlinear PDEs, as well as the fact that not much is known about solutions of the family of generalized SPE equations considered here, the results obtained are both new and timely.

Identification of damage in composite structures using Gaussian mixture model-processed Lamb waves

NASA Astrophysics Data System (ADS)

Wang, Qiang; Ma, Shuxian; Yue, Dong

2018-04-01

Composite materials have comprehensively better properties than traditional materials, and therefore have been more and more widely used, especially because of its higher strength-weight ratio. However, the damage of composite structures is usually varied and complicated. In order to ensure the security of these structures, it is necessary to monitor and distinguish the structural damage in a timely manner. Lamb wave-based structural health monitoring (SHM) has been proved to be effective in online structural damage detection and evaluation; furthermore, the characteristic parameters of the multi-mode Lamb wave varies in response to different types of damage in the composite material. This paper studies the damage identification approach for composite structures using the Lamb wave and the Gaussian mixture model (GMM). The algorithm and principle of the GMM, and the parameter estimation, is introduced. Multi-statistical characteristic parameters of the excited Lamb waves are extracted, and the parameter space with reduced dimensions is adopted by principal component analysis (PCA). The damage identification system using the GMM is then established through training. Experiments on a glass fiber-reinforced epoxy composite laminate plate are conducted to verify the feasibility of the proposed approach in terms of damage classification. The experimental results show that different types of damage can be identified according to the value of the likelihood function of the GMM.

Time-invariant PT product and phase locking in PT -symmetric lattice models

NASA Astrophysics Data System (ADS)

Joglekar, Yogesh N.; Onanga, Franck Assogba; Harter, Andrew K.

2018-01-01

Over the past decade, non-Hermitian, PT -symmetric Hamiltonians have been investigated as candidates for both a fundamental, unitary, quantum theory and open systems with a nonunitary time evolution. In this paper, we investigate the implications of the former approach in the context of the latter. Motivated by the invariance of the PT (inner) product under time evolution, we discuss the dynamics of wave-function phases in a wide range of PT -symmetric lattice models. In particular, we numerically show that, starting with a random initial state, a universal, gain-site location dependent locking between wave-function phases at adjacent sites occurs in the PT -symmetry-broken region. Our results pave the way towards understanding the physically observable implications of time invariants in the nonunitary dynamics produced by PT -symmetric Hamiltonians.

Semileptonic decays of Λ _c baryons in the relativistic quark model

NASA Astrophysics Data System (ADS)

Faustov, R. N.; Galkin, V. O.

2016-11-01

Motivated by recent experimental progress in studying weak decays of the Λ _c baryon we investigate its semileptonic decays in the framework of the relativistic quark model based on the quasipotential approach with the QCD-motivated potential. The form factors of the Λ _c→ Λ lν _l and Λ _c→ nlν _l decays are calculated in the whole accessible kinematical region without extrapolations and additional model assumptions. Relativistic effects are systematically taken into account including transformations of baryon wave functions from the rest to moving reference frame and contributions of the intermediate negative-energy states. Baryon wave functions found in the previous mass spectrum calculations are used for the numerical evaluation. Comprehensive predictions for decay rates, asymmetries and polarization parameters are given. They agree well with available experimental data.

Efficient numerical method for investigating diatomic molecules with single active electron subjected to intense and ultrashort laser fields

NASA Astrophysics Data System (ADS)

Kiss, Gellért Zsolt; Borbély, Sándor; Nagy, Ladislau

2017-12-01

We have presented here an efficient numerical approach for the ab initio numerical solution of the time-dependent Schrödinger Equation describing diatomic molecules, which interact with ultrafast laser pulses. During the construction of the model we have assumed a frozen nuclear configuration and a single active electron. In order to increase efficiency our system was described using prolate spheroidal coordinates, where the wave function was discretized using the finite-element discrete variable representation (FE-DVR) method. The discretized wave functions were efficiently propagated in time using the short-iterative Lanczos algorithm. As a first test we have studied here how the laser induced bound state dynamics in H2+ is influenced by the strength of the driving laser field.

Advanced capabilities for materials modelling with Quantum ESPRESSO

NASA Astrophysics Data System (ADS)

Giannozzi, P.; Andreussi, O.; Brumme, T.; Bunau, O.; Buongiorno Nardelli, M.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Cococcioni, M.; Colonna, N.; Carnimeo, I.; Dal Corso, A.; de Gironcoli, S.; Delugas, P.; DiStasio, R. A., Jr.; Ferretti, A.; Floris, A.; Fratesi, G.; Fugallo, G.; Gebauer, R.; Gerstmann, U.; Giustino, F.; Gorni, T.; Jia, J.; Kawamura, M.; Ko, H.-Y.; Kokalj, A.; Küçükbenli, E.; Lazzeri, M.; Marsili, M.; Marzari, N.; Mauri, F.; Nguyen, N. L.; Nguyen, H.-V.; Otero-de-la-Roza, A.; Paulatto, L.; Poncé, S.; Rocca, D.; Sabatini, R.; Santra, B.; Schlipf, M.; Seitsonen, A. P.; Smogunov, A.; Timrov, I.; Thonhauser, T.; Umari, P.; Vast, N.; Wu, X.; Baroni, S.

2017-11-01

Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.

Advanced capabilities for materials modelling with Quantum ESPRESSO.

PubMed

Giannozzi, P; Andreussi, O; Brumme, T; Bunau, O; Buongiorno Nardelli, M; Calandra, M; Car, R; Cavazzoni, C; Ceresoli, D; Cococcioni, M; Colonna, N; Carnimeo, I; Dal Corso, A; de Gironcoli, S; Delugas, P; DiStasio, R A; Ferretti, A; Floris, A; Fratesi, G; Fugallo, G; Gebauer, R; Gerstmann, U; Giustino, F; Gorni, T; Jia, J; Kawamura, M; Ko, H-Y; Kokalj, A; Küçükbenli, E; Lazzeri, M; Marsili, M; Marzari, N; Mauri, F; Nguyen, N L; Nguyen, H-V; Otero-de-la-Roza, A; Paulatto, L; Poncé, S; Rocca, D; Sabatini, R; Santra, B; Schlipf, M; Seitsonen, A P; Smogunov, A; Timrov, I; Thonhauser, T; Umari, P; Vast, N; Wu, X; Baroni, S

2017-10-24

Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.

Advanced capabilities for materials modelling with Quantum ESPRESSO.

PubMed

Andreussi, Oliviero; Brumme, Thomas; Bunau, Oana; Buongiorno Nardelli, Marco; Calandra, Matteo; Car, Roberto; Cavazzoni, Carlo; Ceresoli, Davide; Cococcioni, Matteo; Colonna, Nicola; Carnimeo, Ivan; Dal Corso, Andrea; de Gironcoli, Stefano; Delugas, Pietro; DiStasio, Robert; Ferretti, Andrea; Floris, Andrea; Fratesi, Guido; Fugallo, Giorgia; Gebauer, Ralph; Gerstmann, Uwe; Giustino, Feliciano; Gorni, Tommaso; Jia, Junteng; Kawamura, Mitsuaki; Ko, Hsin-Yu; Kokalj, Anton; Küçükbenli, Emine; Lazzeri, Michele; Marsili, Margherita; Marzari, Nicola; Mauri, Francesco; Nguyen, Ngoc Linh; Nguyen, Huy-Viet; Otero-de-la-Roza, Alberto; Paulatto, Lorenzo; Poncé, Samuel; Giannozzi, Paolo; Rocca, Dario; Sabatini, Riccardo; Santra, Biswajit; Schlipf, Martin; Seitsonen, Ari Paavo; Smogunov, Alexander; Timrov, Iurii; Thonhauser, Timo; Umari, Paolo; Vast, Nathalie; Wu, Xifan; Baroni, Stefano

2017-09-27

Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudo-potential and projector-augmented-wave approaches. Quantum ESPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement theirs ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software. © 2017 IOP Publishing Ltd.

Toward the detection of gravitational waves under non-Gaussian noises I. Locally optimal statistic

PubMed Central

YOKOYAMA, Jun’ichi

2014-01-01

After reviewing the standard hypothesis test and the matched filter technique to identify gravitational waves under Gaussian noises, we introduce two methods to deal with non-Gaussian stationary noises. We formulate the likelihood ratio function under weakly non-Gaussian noises through the Edgeworth expansion and strongly non-Gaussian noises in terms of a new method we call Gaussian mapping where the observed marginal distribution and the two-body correlation function are fully taken into account. We then apply these two approaches to Student’s t-distribution which has a larger tails than Gaussian. It is shown that while both methods work well in the case the non-Gaussianity is small, only the latter method works well for highly non-Gaussian case. PMID:25504231

The FLAME-slab method for electromagnetic wave scattering in aperiodic slabs

NASA Astrophysics Data System (ADS)

Mansha, Shampy; Tsukerman, Igor; Chong, Y. D.

2017-12-01

The proposed numerical method, "FLAME-slab," solves electromagnetic wave scattering problems for aperiodic slab structures by exploiting short-range regularities in these structures. The computational procedure involves special difference schemes with high accuracy even on coarse grids. These schemes are based on Trefftz approximations, utilizing functions that locally satisfy the governing differential equations, as is done in the Flexible Local Approximation Method (FLAME). Radiation boundary conditions are implemented via Fourier expansions in the air surrounding the slab. When applied to ensembles of slab structures with identical short-range features, such as amorphous or quasicrystalline lattices, the method is significantly more efficient, both in runtime and in memory consumption, than traditional approaches. This efficiency is due to the fact that the Trefftz functions need to be computed only once for the whole ensemble.

Wave Field Synthesis of moving sources with arbitrary trajectory and velocity profile.

PubMed

Firtha, Gergely; Fiala, Péter

2017-08-01

The sound field synthesis of moving sound sources is of great importance when dynamic virtual sound scenes are to be reconstructed. Previous solutions considered only virtual sources moving uniformly along a straight trajectory, synthesized employing a linear loudspeaker array. This article presents the synthesis of point sources following an arbitrary trajectory. Under high-frequency assumptions 2.5D Wave Field Synthesis driving functions are derived for arbitrary shaped secondary source contours by adapting the stationary phase approximation to the dynamic description of sources in motion. It is explained how a referencing function should be chosen in order to optimize the amplitude of synthesis on an arbitrary receiver curve. Finally, a finite difference implementation scheme is considered, making the presented approach suitable for real-time applications.

An Early Quantum Computing Proposal

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

Lee, Stephen Russell; Alexander, Francis Joseph; Barros, Kipton Marcos

The D-Wave 2X is the third generation of quantum processing created by D-Wave. NASA (with Google and USRA) and Lockheed Martin (with USC), both own D-Wave systems. Los Alamos National Laboratory (LANL) purchased a D-Wave 2X in November 2015. The D-Wave 2X processor contains (nominally) 1152 quantum bits (or qubits) and is designed to specifically perform quantum annealing, which is a well-known method for finding a global minimum of an optimization problem. This methodology is based on direct execution of a quantum evolution in experimental quantum hardware. While this can be a powerful method for solving particular kinds of problems,more » it also means that the D-Wave 2X processor is not a general computing processor and cannot be programmed to perform a wide variety of tasks. It is a highly specialized processor, well beyond what NNSA currently thinks of as an “advanced architecture.”A D-Wave is best described as a quantum optimizer. That is, it uses quantum superposition to find the lowest energy state of a system by repeated doses of power and settling stages. The D-Wave produces multiple solutions to any suitably formulated problem, one of which is the lowest energy state solution (global minimum). Mapping problems onto the D-Wave requires defining an objective function to be minimized and then encoding that function in the Hamiltonian of the D-Wave system. The quantum annealing method is then used to find the lowest energy configuration of the Hamiltonian using the current D-Wave Two, two-level, quantum processor. This is not always an easy thing to do, and the D-Wave Two has significant limitations that restrict problem sizes that can be run and algorithmic choices that can be made. Furthermore, as more people are exploring this technology, it has become clear that it is very difficult to come up with general approaches to optimization that can both utilize the D-Wave and that can do better than highly developed algorithms on conventional computers for specific applications. These are all fundamental challenges that must be overcome for the D-Wave, or similar, quantum computing technology to be broadly applicable.« less

Reliability assessment of different plate theories for elastic wave propagation analysis in functionally graded plates.

PubMed

Mehrkash, Milad; Azhari, Mojtaba; Mirdamadi, Hamid Reza

2014-01-01

The importance of elastic wave propagation problem in plates arises from the application of ultrasonic elastic waves in non-destructive evaluation of plate-like structures. However, precise study and analysis of acoustic guided waves especially in non-homogeneous waveguides such as functionally graded plates are so complicated that exact elastodynamic methods are rarely employed in practical applications. Thus, the simple approximate plate theories have attracted much interest for the calculation of wave fields in FGM plates. Therefore, in the current research, the classical plate theory (CPT), first-order shear deformation theory (FSDT) and third-order shear deformation theory (TSDT) are used to obtain the transient responses of flexural waves in FGM plates subjected to transverse impulsive loadings. Moreover, comparing the results with those based on a well recognized hybrid numerical method (HNM), we examine the accuracy of the plate theories for several plates of various thicknesses under excitations of different frequencies. The material properties of the plate are assumed to vary across the plate thickness according to a simple power-law distribution in terms of volume fractions of constituents. In all analyses, spatial Fourier transform together with modal analysis are applied to compute displacement responses of the plates. A comparison of the results demonstrates the reliability ranges of the approximate plate theories for elastic wave propagation analysis in FGM plates. Furthermore, based on various examples, it is shown that whenever the plate theories are used within the appropriate ranges of plate thickness and frequency content, solution process in wave number-time domain based on modal analysis approach is not only sufficient but also efficient for finding the transient waveforms in FGM plates. Copyright © 2013 Elsevier B.V. All rights reserved.

The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations.

PubMed

Lefebvre, Corentin; Khartabil, Hassan; Boisson, Jean-Charles; Contreras-García, Julia; Piquemal, Jean-Philip; Hénon, Eric

2018-03-19

Extraction of the chemical interaction signature from local descriptors based on electron density (ED) is still a fruitful field of development in chemical interpretation. In a previous work that used promolecular ED (frozen ED), the new descriptor, δg , was defined. It represents the difference between a virtual upper limit of the ED gradient (∇ρIGM , IGM=independent gradient model) that represents a noninteracting system and the true ED gradient (∇ρ ). It can be seen as a measure of electron sharing brought by ED contragradience. A compelling feature of this model is to provide an automatic workflow that extracts the signature of interactions between selected groups of atoms. As with the noncovalent interaction (NCI) approach, it provides chemists with a visual understanding of the interactions present in chemical systems. ∇ρIGM is achieved simply by using absolute values upon summing the individual gradient contributions that make up the total ED gradient. Hereby, we extend this model to relaxed ED calculated from a wave function. To this end, we formulated gradient-based partitioning (GBP) to assess the contribution of each orbital to the total ED gradient. We highlight these new possibilities across two prototypical examples of organic chemistry: the unconventional hexamethylbenzene dication, with a hexa-coordinated carbon atom, and β-thioaminoacrolein. It will be shown how a bond-by-bond picture can be obtained from a wave function, which opens the way to monitor specific interactions along reaction paths. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetic Theory of quasi-electrostatic waves in non-gyrotropic plasmas

NASA Astrophysics Data System (ADS)

Arshad, K.; Poedts, S.; Lazar, M.

2017-12-01

The orbital angular momentum (OAM) is a trait of helically phased light or helical (twisted) electric field. Lasers carrying orbital angular momentum (OAM) revolutionized many scientific and technological paradigms like microscopy, imaging and ionospheric radar facility to analyze three dimensional plasma dynamics in ionosphere, ultra-intense twisted laser pulses, twisted gravitational waves and astrophysics. This trend has also been investigated in plasma physics. Laguerre-Gaussian type solutions are predicted for magnetic tornadoes and Alfvénic tornadoes which exhibit spiral, split and ring-like morphologies. The ring shape morphology is ideal to fit the observed solar corona, solar atmosphere and Earth's ionosphere. The orbital angular momentum indicates the mediation of electrostatic and electromagnetic waves in new phenomena like Raman and Brillouin scattering. A few years ago, some new effects have been included in studies of orbital angular momentum in plasma regimes such as wave-particle interaction in the presence of helical electric field. Therefore, kinetic studies are carried out to investigate the Landau damping of the waves and growth of the instabilities in the presence helical electric field carrying orbital angular momentum for the Maxwellian distributed plasmas. Recently, a well suited approach involving a kappa distribution function has been adopted to model the twisted space plasmas. This leads to the development of new theoretical grounds for the study of Lorentzian or kappa distributed twisted Langmuir, ion acoustic, dust ion acoustic and dust acoustic modes. The quasi-electrostatic twisted waves have been studied now for the non-gyrotropic dusty plasmas in the presence of the orbital angular momentum of the helical electric field using Generalized Lorentzian or kappa distribution function. The Laguerre-Gaussian (LG) mode function is employed to decompose the perturbed distribution function and electric field into planar (longitudinal) and non-planar (azimuthal) components. The modified Vlasov and Poisson equations are solved to obtain the dielectric function for quasi-electrostatic twisted modes the non-gyrotropic dusty plasmas. Some numerical and graphical analysis is also illustrated for the better understanding of the twisted non-gyrotropic plasmas.

Development of a Novel Guided Wave Generation System Using a Giant Magnetostrictive Actuator for Nondestructive Evaluation

PubMed Central

Luo, Mingzhang; Li, Weijie; Wang, Junming; Chen, Xuemin; Song, Gangbing

2018-01-01

As a common approach to nondestructive testing and evaluation, guided wave-based methods have attracted much attention because of their wide detection range and high detection efficiency. It is highly desirable to develop a portable guided wave testing system with high actuating energy and variable frequency. In this paper, a novel giant magnetostrictive actuator with high actuation power is designed and implemented, based on the giant magnetostrictive (GMS) effect. The novel GMS actuator design involves a conical energy-focusing head that can focus the amplified mechanical energy generated by the GMS actuator. This design enables the generation of stress waves with high energy, and the focusing of the generated stress waves on the test object. The guided wave generation system enables two kinds of output modes: the coded pulse signal and the sweep signal. The functionality and the advantages of the developed system are validated through laboratory testing in the quality assessment of rock bolt-reinforced structures. In addition, the developed GMS actuator and the supporting system are successfully implemented and applied in field tests. The device can also be used in other nondestructive testing and evaluation applications that require high-power stress wave generation. PMID:29510540

Development of a Novel Guided Wave Generation System Using a Giant Magnetostrictive Actuator for Nondestructive Evaluation.

PubMed

Luo, Mingzhang; Li, Weijie; Wang, Junming; Wang, Ning; Chen, Xuemin; Song, Gangbing

2018-03-04

As a common approach to nondestructive testing and evaluation, guided wave-based methods have attracted much attention because of their wide detection range and high detection efficiency. It is highly desirable to develop a portable guided wave testing system with high actuating energy and variable frequency. In this paper, a novel giant magnetostrictive actuator with high actuation power is designed and implemented, based on the giant magnetostrictive (GMS) effect. The novel GMS actuator design involves a conical energy-focusing head that can focus the amplified mechanical energy generated by the GMS actuator. This design enables the generation of stress waves with high energy, and the focusing of the generated stress waves on the test object. The guided wave generation system enables two kinds of output modes: the coded pulse signal and the sweep signal. The functionality and the advantages of the developed system are validated through laboratory testing in the quality assessment of rock bolt-reinforced structures. In addition, the developed GMS actuator and the supporting system are successfully implemented and applied in field tests. The device can also be used in other nondestructive testing and evaluation applications that require high-power stress wave generation.

An approach to rogue waves through the cnoidal equation

NASA Astrophysics Data System (ADS)

Lechuga, Antonio

2014-05-01

Lately it has been realized the importance of rogue waves in some events happening in open seas. Extreme waves and extreme weather could explain some accidents, but not all of them. Every now and then inflicted damages on ships only can be reported to be caused by anomalous and elusive waves, such as rogue waves. That's one of the reason why they continue attracting considerable interest among researchers. In the frame of the Nonlinear Schrödinger equation(NLS), Witham(1974) and Dingemans and Otta (2001)gave asymptotic solutions in moving coordinates that transformed the NLS equation in a ordinary differential equation that is the Duffing or cnoidal wave equation. Applying the Zakharov equation, Stiassnie and Shemer(2004) and Shemer(2010)got also a similar equation. It's well known that this ordinary equation can be solved in elliptic functions. The main aim of this presentation is to sort out the domains of the solutions of this equation, that, of course, are linked to the corresponding solutions of the partial differential equations(PDEs). That being, Lechuga(2007),a simple way to look for anomalous waves as it's the case with some "chaotic" solutions of the Duffing equation.

Dynamics of Coupled Electron-Boson Systems with the Multiple Davydov D1 Ansatz and the Generalized Coherent State.

PubMed

Chen, Lipeng; Borrelli, Raffaele; Zhao, Yang

2017-11-22

The dynamics of a coupled electron-boson system is investigated by employing a multitude of the Davydov D 1 trial states, also known as the multi-D 1 Ansatz, and a second trial state based on a superposition of the time-dependent generalized coherent state (GCS Ansatz). The two Ansätze are applied to study population dynamics in the spin-boson model and the Holstein molecular crystal model, and a detailed comparison with numerically exact results obtained by the (multilayer) multiconfiguration time-dependent Hartree method and the hierarchy equations of motion approach is drawn. It is found that the two methodologies proposed here have significantly improved over that with the single D 1 Ansatz, yielding quantitatively accurate results even in the critical cases of large energy biases and large transfer integrals. The two methodologies provide new effective tools for accurate, efficient simulation of many-body quantum dynamics thanks to a relatively small number of parameters which characterize the electron-nuclear wave functions. The wave-function-based approaches are capable of tracking explicitly detailed bosonic dynamics, which is absent by construct in approaches based on the reduced density matrix. The efficiency and flexibility of our methods are also advantages as compared with numerically exact approaches such as QUAPI and HEOM, especially at low temperatures and in the strong coupling regime.

Ionospheric very low frequency transmitter

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

Kuo, Spencer P.

2015-02-15

The theme of this paper is to establish a reliable ionospheric very low frequency (VLF) transmitter, which is also broad band. Two approaches are studied that generate VLF waves in the ionosphere. The first, classic approach employs a ground-based HF heater to directly modulate the high latitude ionospheric, or auroral electrojet. In the classic approach, the intensity-modulated HF heater induces an alternating current in the electrojet, which serves as a virtual antenna to transmit VLF waves. The spatial and temporal variations of the electrojet impact the reliability of the classic approach. The second, beat-wave approach also employs a ground-based HFmore » heater; however, in this approach, the heater operates in a continuous wave mode at two HF frequencies separated by the desired VLF frequency. Theories for both approaches are formulated, calculations performed with numerical model simulations, and the calculations are compared to experimental results. Theory for the classic approach shows that an HF heater wave, intensity-modulated at VLF, modulates the electron temperature dependent electrical conductivity of the ionospheric electrojet, which, in turn, induces an ac electrojet current. Thus, the electrojet becomes a virtual VLF antenna. The numerical results show that the radiation intensity of the modulated electrojet decreases with an increase in VLF radiation frequency. Theory for the beat wave approach shows that the VLF radiation intensity depends upon the HF heater intensity rather than the electrojet strength, and yet this approach can also modulate the electrojet when present. HF heater experiments were conducted for both the intensity modulated and beat wave approaches. VLF radiations were generated and the experimental results confirm the numerical simulations. Theory and experimental results both show that in the absence of the electrojet, VLF radiation from the F-region is generated via the beat wave approach. Additionally, the beat wave approach generates VLF radiations over a larger frequency band than by the modulated electrojet.« less

Teaching Qualitative Energy-Eigenfunction Shape with Physlets

ERIC Educational Resources Information Center

Belloni, Mario; Christian, Wolfgang; Cox, Anne J.

2007-01-01

More than 35 years ago, French and Taylor outlined an approach to teach students and teachers alike how to understand "qualitative plots of bound-state wave functions." They described five fundamental statements based on the quantum-mechanical concepts of probability and energy (total and potential), which could be used to deduce the shape of…

Deterministic alternatives to the full configuration interaction quantum Monte Carlo method for strongly correlated systems

NASA Astrophysics Data System (ADS)

Tubman, Norm; Whaley, Birgitta

The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.

Alternative Approaches to Assessing Nonresponse Bias in Longitudinal Survey Estimates: An Application to Substance-Use Outcomes Among Young Adults in the United States

PubMed Central

West, Brady Thomas; McCabe, Sean Esteban

2017-01-01

Abstract We evaluated alternative approaches to assessing and correcting for nonresponse bias in a longitudinal survey. We considered the changes in substance-use outcomes over a 3-year period among young adults aged 18–24 years (n = 5,199) in the United States, analyzing data from the National Epidemiologic Survey on Alcohol and Related Conditions. This survey collected a variety of substance-use information from a nationally representative sample of US adults in 2 waves: 2001–2002 and 2004–2005. We first considered nonresponse rates in the second wave as a function of key substance-use outcomes in wave 1. We then evaluated 5 alternative approaches designed to correct for nonresponse bias under different attrition mechanisms, including weighting adjustments, multiple imputation, selection models, and pattern-mixture models. Nonignorable attrition in a longitudinal survey can lead to bias in estimates of change in certain health behaviors over time, and only selected procedures enable analysts to assess the sensitivity of their inferences to different assumptions about the extent of nonignorability. We compared estimates based on these 5 approaches, and we suggest a road map for assessing the risk of nonresponse bias in longitudinal studies. We conclude with directions for future research in this area given the results of our evaluations. PMID:28338839

Properties of resonance wave functions.

NASA Technical Reports Server (NTRS)

More, R. M.; Gerjuoy, E.

1973-01-01

Construction and study of resonance wave functions corresponding to poles of the Green's function for several illustrative models of theoretical interest. Resonance wave functions obtained from the Siegert and Kapur-Peierls definitions of the resonance energies are compared. The comparison especially clarifies the meaning of the normalization constant of the resonance wave functions. It is shown that the wave functions may be considered renormalized in a sense analogous to that of quantum field theory. However, this renormalization is entirely automatic, and the theory has neither ad hoc procedures nor infinite quantities.

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.

Unbound motion on a Schwarzschild background: Practical approaches to frequency domain computations

NASA Astrophysics Data System (ADS)

Hopper, Seth

2018-03-01

Gravitational perturbations due to a point particle moving on a static black hole background are naturally described in Regge-Wheeler gauge. The first-order field equations reduce to a single master wave equation for each radiative mode. The master function satisfying this wave equation is a linear combination of the metric perturbation amplitudes with a source term arising from the stress-energy tensor of the point particle. The original master functions were found by Regge and Wheeler (odd parity) and Zerilli (even parity). Subsequent work by Moncrief and then Cunningham, Price and Moncrief introduced new master variables which allow time domain reconstruction of the metric perturbation amplitudes. Here, I explore the relationship between these different functions and develop a general procedure for deriving new higher-order master functions from ones already known. The benefit of higher-order functions is that their source terms always converge faster at large distance than their lower-order counterparts. This makes for a dramatic improvement in both the speed and accuracy of frequency domain codes when analyzing unbound motion.

Benchmarking singlet and triplet excitation energies of molecular semiconductors for singlet fission: Tuning the amount of HF exchange and adjusting local correlation to obtain accurate functionals for singlet-triplet gaps

NASA Astrophysics Data System (ADS)

Brückner, Charlotte; Engels, Bernd

2017-01-01

Vertical and adiabatic singlet and triplet excitation energies of molecular p-type semiconductors calculated with various DFT functionals and wave-function based approaches are benchmarked against MS-CASPT2/cc-pVTZ reference values. A special focus lies on the singlet-triplet gaps that are very important in the process of singlet fission. Singlet fission has the potential to boost device efficiencies of organic solar cells, but the scope of existing singlet-fission compounds is still limited. A computational prescreening of candidate molecules could enlarge it; yet it requires efficient methods accurately predicting singlet and triplet excitation energies. Different DFT formulations (Tamm-Dancoff approximation, linear response time-dependent DFT, Δ-SCF) and spin scaling schemes along with several ab initio methods (CC2, ADC(2)/MP2, CIS(D), CIS) are evaluated. While wave-function based methods yield rather reliable singlet-triplet gaps, many DFT functionals are shown to systematically underestimate triplet excitation energies. To gain insight, the impact of exact exchange and correlation is in detail addressed.

Some simple solutions of Schrödinger's equation for a free particle or for an oscillator

NASA Astrophysics Data System (ADS)

Andrews, Mark

2018-05-01

For a non-relativistic free particle, we show that the evolution of some simple initial wave functions made up of linear segments can be expressed in terms of Fresnel integrals. Examples include the square wave function and the triangular wave function. The method is then extended to wave functions made from quadratic elements. The evolution of all these initial wave functions can also be found for the harmonic oscillator by a transformation of the free evolutions.

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.

Cluster decomposition of full configuration interaction wave functions: A tool for chemical interpretation of systems with strong correlation

NASA Astrophysics Data System (ADS)

Lehtola, Susi; Tubman, Norm M.; Whaley, K. Birgitta; Head-Gordon, Martin

2017-10-01

Approximate full configuration interaction (FCI) calculations have recently become tractable for systems of unforeseen size, thanks to stochastic and adaptive approximations to the exponentially scaling FCI problem. The result of an FCI calculation is a weighted set of electronic configurations, which can also be expressed in terms of excitations from a reference configuration. The excitation amplitudes contain information on the complexity of the electronic wave function, but this information is contaminated by contributions from disconnected excitations, i.e., those excitations that are just products of independent lower-level excitations. The unwanted contributions can be removed via a cluster decomposition procedure, making it possible to examine the importance of connected excitations in complicated multireference molecules which are outside the reach of conventional algorithms. We present an implementation of the cluster decomposition analysis and apply it to both true FCI wave functions, as well as wave functions generated from the adaptive sampling CI algorithm. The cluster decomposition is useful for interpreting calculations in chemical studies, as a diagnostic for the convergence of various excitation manifolds, as well as as a guidepost for polynomially scaling electronic structure models. Applications are presented for (i) the double dissociation of water, (ii) the carbon dimer, (iii) the π space of polyacenes, and (iv) the chromium dimer. While the cluster amplitudes exhibit rapid decay with an increasing rank for the first three systems, even connected octuple excitations still appear important in Cr2, suggesting that spin-restricted single-reference coupled-cluster approaches may not be tractable for some problems in transition metal chemistry.

Micromagnetic computer simulations of spin waves in nanometre-scale patterned magnetic elements

NASA Astrophysics Data System (ADS)

Kim, Sang-Koog

2010-07-01

Current needs for further advances in the nanotechnologies of information-storage and -processing devices have attracted a great deal of interest in spin (magnetization) dynamics in nanometre-scale patterned magnetic elements. For instance, the unique dynamic characteristics of non-uniform magnetic microstructures such as various types of domain walls, magnetic vortices and antivortices, as well as spin wave dynamics in laterally restricted thin-film geometries, have been at the centre of extensive and intensive researches. Understanding the fundamentals of their unique spin structure as well as their robust and novel dynamic properties allows us to implement new functionalities into existing or future devices. Although experimental tools and theoretical approaches are effective means of understanding the fundamentals of spin dynamics and of gaining new insights into them, the limitations of those same tools and approaches have left gaps of unresolved questions in the pertinent physics. As an alternative, however, micromagnetic modelling and numerical simulation has recently emerged as a powerful tool for the study of a variety of phenomena related to spin dynamics of nanometre-scale magnetic elements. In this review paper, I summarize the recent results of simulations of the excitation and propagation and other novel wave characteristics of spin waves, highlighting how the micromagnetic computer simulation approach contributes to an understanding of spin dynamics of nanomagnetism and considering some of the merits of numerical simulation studies. Many examples of micromagnetic modelling for numerical calculations, employing various dimensions and shapes of patterned magnetic elements, are given. The current limitations of continuum micromagnetic modelling and of simulations based on the Landau-Lifshitz-Gilbert equation of motion of magnetization are also discussed, along with further research directions for spin-wave studies.

Determining Crust and Upper Mantle Structure by Bayesian Joint Inversion of Receiver Functions and Surface Wave Dispersion at a Single Station: Preparation for Data from the InSight Mission

NASA Astrophysics Data System (ADS)

Jia, M.; Panning, M. P.; Lekic, V.; Gao, C.

2017-12-01

The InSight (Interior Exploration using Seismic Investigations, Geodesy and Heat Transport) mission will deploy a geophysical station on Mars in 2018. Using seismology to explore the interior structure of the Mars is one of the main targets, and as part of the mission, we will use 3-component seismic data to constrain the crust and upper mantle structure including P and S wave velocities and densities underneath the station. We will apply a reversible jump Markov chain Monte Carlo algorithm in the transdimensional hierarchical Bayesian inversion framework, in which the number of parameters in the model space and the noise level of the observed data are also treated as unknowns in the inversion process. Bayesian based methods produce an ensemble of models which can be analyzed to quantify uncertainties and trade-offs of the model parameters. In order to get better resolution, we will simultaneously invert three different types of seismic data: receiver functions, surface wave dispersion (SWD), and ZH ratios. Because the InSight mission will only deliver a single seismic station to Mars, and both the source location and the interior structure will be unknown, we will jointly invert the ray parameter in our approach. In preparation for this work, we first verify our approach by using a set of synthetic data. We find that SWD can constrain the absolute value of velocities while receiver functions constrain the discontinuities. By joint inversion, the velocity structure in the crust and upper mantle is well recovered. Then, we apply our approach to real data from an earth-based seismic station BFO located in Black Forest Observatory in Germany, as already used in a demonstration study for single station location methods. From the comparison of the results, our hierarchical treatment shows its advantage over the conventional method in which the noise level of observed data is fixed as a prior.

Complex Riccati equations as a link between different approaches for the description of dissipative and irreversible systems

NASA Astrophysics Data System (ADS)

Schuch, Dieter

2012-08-01

Quantum mechanics is essentially described in terms of complex quantities like wave functions. The interesting point is that phase and amplitude of the complex wave function are not independent of each other, but coupled by some kind of conservation law. This coupling exists in time-independent quantum mechanics and has a counterpart in its time-dependent form. It can be traced back to a reformulation of quantum mechanics in terms of nonlinear real Ermakov equations or equivalent complex nonlinear Riccati equations, where the quadratic term in the latter equation explains the origin of the phase-amplitude coupling. Since realistic physical systems are always in contact with some kind of environment this aspect is also taken into account. In this context, different approaches for describing open quantum systems, particularly effective ones, are discussed and compared. Certain kinds of nonlinear modifications of the Schrödinger equation are discussed as well as their interrelations and their relations to linear approaches via non-unitary transformations. The modifications of the aforementioned Ermakov and Riccati equations when environmental effects are included can be determined in the time-dependent case. From formal similarities conclusions can be drawn how the equations of time-independent quantum mechanics can be modified to also incluce the enviromental aspects.

Spin-component-scaled Møller-Plesset (SCS-MP) perturbation theory: a generalization of the MP approach with improved properties.

PubMed

Fink, Reinhold F

2010-11-07

A rigorous perturbation theory is proposed, which has the same second order energy as the spin-component-scaled Møller-Plesset second order (SCS-MP2) method of Grimme [J. Chem. Phys. 118, 9095 (2003)]. This upgrades SCS-MP2 to a systematically improvable, true wave-function-based method. The perturbation theory is defined by an unperturbed Hamiltonian, Ĥ(0), that contains the ordinary Fock operator and spin operators Ŝ(2) that act either on the occupied or the virtual orbital spaces. Two choices for Ĥ(0) are discussed and the importance of a spin-pure Ĥ((0)) is underlined. Like the SCS-MP2 approach, the theory contains two parameters (c(os) and c(ss)) that scale the opposite-spin and the same-spin contributions to the second order perturbation energy. It is shown that these parameters can be determined from theoretical considerations by a Feenberg scaling approach or a fit of the wave functions from the perturbation theory to the exact one from a full configuration interaction calculation. The parameters c(os)=1.15 and c(ss)=0.75 are found to be optimal for a reasonable test set of molecules. The meaning of these parameters and the consequences following from a well defined improved MP method are discussed.

Open, aware, and active: contextual approaches as an emerging trend in the behavioral and cognitive therapies.

PubMed

Hayes, Steven C; Villatte, Matthieu; Levin, Michael; Hildebrandt, Mikaela

2011-01-01

A wave of new developments has occurred in the behavioral and cognitive therapies that focuses on processes such as acceptance, mindfulness, attention, or values. In this review, we describe some of these developments and the data regarding them, focusing on information about components, moderators, mediators, and processes of change. These "third wave" methods all emphasize the context and function of psychological events more so than their validity, frequency, or form, and for these reasons we use the term "contextual cognitive behavioral therapy" to describe their characteristics. Both putative processes, and component and process evidence, indicate that they are focused on establishing a more open, aware, and active approach to living, and that their positive effects occur because of changes in these processes. © 2011 by Annual Reviews. All rights reserved

Engineering the LISA Project: Systems Engineering Challenges

NASA Technical Reports Server (NTRS)

Evans, Jordan P.

2006-01-01

The Laser Interferometer Space Antenna (LISA) is a joint NASA/ESA mission to detect and measure gravitational waves with periods from 1 s to 10000 s. The systems engineering challenges of developing a giant interferometer, 5 million kilometers on a side, an: numerous. Some of the key challenges are presented in this paper. The organizational challenges imposed by sharing the engineering function between three centers (ESA ESTEC, NASA GSFC, and JPL) across nine time zones are addressed. The issues and approaches to allocation of the acceleration noise and measurement sensitivity budget terms across a traditionally decomposed system are discussed. Additionally, using LISA to detect gravitational waves for the first time presents significant data analysis challenges, many of which drive the project system design. The approach to understanding the implications of science data analysis on the system is also addressed.

Classical Wave Model of Quantum-Like Processing in Brain

NASA Astrophysics Data System (ADS)

Khrennikov, A.

2011-01-01

We discuss the conjecture on quantum-like (QL) processing of information in the brain. It is not based on the physical quantum brain (e.g., Penrose) - quantum physical carriers of information. In our approach the brain created the QL representation (QLR) of information in Hilbert space. It uses quantum information rules in decision making. The existence of such QLR was (at least preliminary) confirmed by experimental data from cognitive psychology. The violation of the law of total probability in these experiments is an important sign of nonclassicality of data. In so called "constructive wave function approach" such data can be represented by complex amplitudes. We presented 1,2 the QL model of decision making. In this paper we speculate on a possible physical realization of QLR in the brain: a classical wave model producing QLR . It is based on variety of time scales in the brain. Each pair of scales (fine - the background fluctuations of electromagnetic field and rough - the cognitive image scale) induces the QL representation. The background field plays the crucial role in creation of "superstrong QL correlations" in the brain.

Collisional damping rates for plasma waves

NASA Astrophysics Data System (ADS)

Tigik, S. F.; Ziebell, L. F.; Yoon, P. H.

2016-06-01

The distinction between the plasma dynamics dominated by collisional transport versus collective processes has never been rigorously addressed until recently. A recent paper [P. H. Yoon et al., Phys. Rev. E 93, 033203 (2016)] formulates for the first time, a unified kinetic theory in which collective processes and collisional dynamics are systematically incorporated from first principles. One of the outcomes of such a formalism is the rigorous derivation of collisional damping rates for Langmuir and ion-acoustic waves, which can be contrasted to the heuristic customary approach. However, the results are given only in formal mathematical expressions. The present brief communication numerically evaluates the rigorous collisional damping rates by considering the case of plasma particles with Maxwellian velocity distribution function so as to assess the consequence of the rigorous formalism in a quantitative manner. Comparison with the heuristic ("Spitzer") formula shows that the accurate damping rates are much lower in magnitude than the conventional expression, which implies that the traditional approach over-estimates the importance of attenuation of plasma waves by collisional relaxation process. Such a finding may have a wide applicability ranging from laboratory to space and astrophysical plasmas.

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions.

PubMed

West, Aaron C; Schmidt, Michael W; Gordon, Mark S; Ruedenberg, Klaus

2017-02-09

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the juxtaposed nonbonded quasi-atoms and a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions, and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. The theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.

Soliton wave-speed management: Slowing, stopping, or reversing a solitary wave

NASA Astrophysics Data System (ADS)

Baines, Luke W. S.; Van Gorder, Robert A.

2018-06-01

While dispersion management is a well-known tool to control soliton properties such as shape or amplitude, far less effort has been directed toward the theoretical control of the soliton wave speed. However, recent experiments concerning the stopping or slowing of light demonstrate that the control of the soliton wave speed is of experimental interest. Motivated by these and other studies, we propose a management approach for modifying the wave speed of a soliton (or of other nonlinear wave solutions, such as periodic cnoidal waves) under the nonlinear Schrödinger equation. Making use of this approach, we are able to slow, stop, or even reverse a solitary wave, and we give several examples to bright solitons, dark solitons, and periodic wave trains, to demonstrate the method. An extension of the approach to spatially heterogeneous media, for which the wave may propagate differently at different spatial locations, is also discussed.

Particle scavenging in a cylindrical ultrasonic standing wave field using levitated drops

NASA Astrophysics Data System (ADS)

Merrell, Tyler; Saylor, J. R.

2015-11-01

A cylindrical ultrasonic standing wave field was generated in a tube containing a flow of particles and fog. Both the particles and fog drops were concentrated in the nodes of the standing wave field where they combined and then grew large enough to fall out of the system. In this way particles were scavenged from the system, cleaning the air. While this approach has been attempted using a standing wave field established between disc-shaped transducers, a cylindrical resonator has not been used for this purpose heretofore. The resonator was constructed by bolting three Langevin transducers to an aluminum tube. The benefit of the cylindrical geometry is that the acoustic energy is focused. Furthermore, the residence time of the particle in the field can be increased by increasing the length of the resonator. An additional benefit of this approach is that tubes located downstream of the resonator were acoustically excited, acting as passive resonators that enhanced the scavenging process. The performance of this system on scavenging particles is presented as a function of particle diameter and volumetric flow rate. It is noted that, when operated without particles, the setup can be used to remove drops and shows promise for liquid aerosol retention from systems where these losses can be financially disadvantageous and/or hazardous.

Extending RTM Imaging With a Focus on Head Waves

NASA Astrophysics Data System (ADS)

Holicki, Max; Drijkoningen, Guy

2016-04-01

Conventional industry seismic imaging predominantly focuses on pre-critical reflections, muting post-critical arrivals in the process. This standard approach neglects a lot of information present in the recorded wave field. This negligence has been partially remedied with the inclusion of head waves in more advanced imaging techniques, like Full Waveform Inversion (FWI). We would like to see post-critical information leave the realm of labour-intensive travel-time picking and tomographic inversion towards full migration to improve subsurface imaging and parameter estimation. We present a novel seismic imaging approach aimed at exploiting post-critical information, using the constant travel path for head-waves between shots. To this end, we propose to generalize conventional Reverse Time Migration (RTM) to scenarios where the sources for the forward and backward propagated wave-fields are not coinciding. RTM functions on the principle that backward propagated receiver data, due to a source at some locations, must overlap with the forward propagated source wave field, from the same source location, at subsurface scatterers. Where the wave-fields overlap in the subsurface there is a peak at the zero-lag cross-correlation, and this peak is used for the imaging. For the inclusion of head waves, we propose to relax the condition of coincident sources. This means that wave-fields, from non-coincident-sources, will not overlap properly in the subsurface anymore. We can make the wave-fields overlap in the subsurface again, by time shifting either the forward or backward propagated wave-fields until the wave-fields overlap. This is the same as imaging at non-zero cross-correlation lags, where the lag is the travel time difference between the two wave-fields for a given event. This allows us to steer which arrivals we would like to use for imaging. In the simplest case we could use Eikonal travel-times to generate our migration image, or we exclusively image the subsurface with the head wave from the nth-layer. To illustrate the method we apply it to a layered Earth model with five layers and compare it to conventional RTM. We will show that conventional RTM highlights interfaces, while our head-wave based images highlight layers, producing fundamentally different images. We also demonstrate that our proposed imaging scheme is more sensitive to the velocity model than conventional RTM, which is important for improved velocity model building in the future.

Three-Dimensional Passive-Source Reverse-Time Migration of Converted Waves: The Method

NASA Astrophysics Data System (ADS)

Li, Jiahang; Shen, Yang; Zhang, Wei

2018-02-01

At seismic discontinuities in the crust and mantle, part of the compressional wave energy converts to shear wave, and vice versa. These converted waves have been widely used in receiver function (RF) studies to image discontinuity structures in the Earth. While generally successful, the conventional RF method has its limitations and is suited mostly to flat or gently dipping structures. Among the efforts to overcome the limitations of the conventional RF method is the development of the wave-theory-based, passive-source reverse-time migration (PS-RTM) for imaging complex seismic discontinuities and scatters. To date, PS-RTM has been implemented only in 2D in the Cartesian coordinate for local problems and thus has limited applicability. In this paper, we introduce a 3D PS-RTM approach in the spherical coordinate, which is better suited for regional and global problems. New computational procedures are developed to reduce artifacts and enhance migrated images, including back-propagating the main arrival and the coda containing the converted waves separately, using a modified Helmholtz decomposition operator to separate the P and S modes in the back-propagated wavefields, and applying an imaging condition that maintains a consistent polarity for a given velocity contrast. Our new approach allows us to use migration velocity models with realistic velocity discontinuities, improving accuracy of the migrated images. We present several synthetic experiments to demonstrate the method, using regional and teleseismic sources. The results show that both regional and teleseismic sources can illuminate complex structures and this method is well suited for imaging dipping interfaces and sharp lateral changes in discontinuity structures.

Fixed-Node Diffusion Quantum Monte Carlo Method on Dissociation Energies and Their Trends for R-X Bonds (R = Me, Et, i-Pr, t-Bu).

PubMed

Hou, Aiqiang; Zhou, Xiaojun; Wang, Ting; Wang, Fan

2018-05-15

Achieving both bond dissociation energies (BDEs) and their trends for the R-X bonds with R = Me, Et, i-Pr, and t-Bu reliably is nontrivial. Density functional theory (DFT) methods with traditional exchange-correlation functionals usually have large error on both the BDEs and their trends. The M06-2X functional gives rise to reliable BDEs, but the relative BDEs are determined not as accurately. More demanding approaches such as some double-hybrid functionals, for example, G4 and CCSD(T), are generally required to achieve the BDEs and their trends reliably. The fixed-node diffusion quantum Monte Carlo method (FN-DMC) is employed to calculated BDEs of these R-X bonds with X = H, CH 3 , OCH 3 , OH, and F in this work. The single Slater-Jastrow wave function is adopted as trial wave function, and pseudopotentials (PPs) developed for quantum Monte Carlo calculations are chosen. Error of these PPs is modest in wave function methods, while it is more pronounced in DFT calculations. Our results show that accuracy of BDEs with FN-DMC is similar to that of M06-2X and G4, and trends in BDEs are calculated more reliably than M06-2X. Both BDEs and trends in BDEs of these bonds are reproduced reasonably with FN-DMC. FN-DMC using PPs can thus be applied to BDEs and their trends of similar chemical bonds in larger molecules reliably and provide valuable information on properties of these molecules.

Structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr, Ba)

NASA Astrophysics Data System (ADS)

Benahmed, A.; Bouhemadou, A.; Alqarni, B.; Guechi, N.; Al-Douri, Y.; Khenata, R.; Bin-Omran, S.

2018-05-01

First-principles calculations were performed to investigate the structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr, Ba) using two complementary approaches based on density functional theory. The pseudopotential plane-wave method was used to explore the structural and elastic properties whereas the full-potential linearised augmented plane wave approach was used to study the structural, electronic, optical and thermoelectric properties. The calculated structural parameters are in good consistency with the corresponding measured ones. The single-crystal and polycrystalline elastic constants and related properties were examined in details. The electronic properties, including energy band dispersions, density of states and charge-carrier effective masses, were computed using Tran-Blaha modified Becke-Johnson functional for the exchange-correlation potential. It is found that both studied compounds are direct band gap semiconductors. Frequency-dependence of the linear optical functions were predicted for a wide photon energy range up to 15 eV. Charge carrier concentration and temperature dependences of the basic parameters of the thermoelectric properties were explored using the semi-classical Boltzmann transport model. Our calculations unveil that the studied compounds are characterised by a high thermopower for both carriers, especially the p-type conduction is more favourable.

From Loschmidt daemons to time-reversed waves.

PubMed

Fink, Mathias

2016-06-13

Time-reversal invariance can be exploited in wave physics to control wave propagation in complex media. Because time and space play a similar role in wave propagation, time-reversed waves can be obtained by manipulating spatial boundaries or by manipulating time boundaries. The two dual approaches will be discussed in this paper. The first approach uses 'time-reversal mirrors' with a wave manipulation along a spatial boundary sampled by a finite number of antennas. Related to this method, the role of the spatio-temporal degrees of freedom of the wavefield will be emphasized. In a second approach, waves are manipulated from a time boundary and we show that 'instantaneous time mirrors', mimicking the Loschmidt point of view, simultaneously acting in the entire space at once can also radiate time-reversed waves. © 2016 The Author(s).

Combined analysis of the radar cross-section modulation due to the long ocean waves around 14° and 34° incidence: Implication for the hydrodynamic modulation

NASA Astrophysics Data System (ADS)

Hauser, DanièLe; Caudal, GéRard

1996-11-01

The analysis of synthetic aperture radar observations over the ocean to derive the directional spectra of the waves is based upon a complex transfer function which is the sum of three terms: tilt modulation, hydrodynamic modulation, and velocity bunching effect. Both the hydrodynamic and the velocity bunching terms are still poorly known. Here we focus on the hydrodynamic part of the transfer function, from an experimental point of view. In this paper a new method is proposed to estimate the hydrodynamic modulation. The approach consists in analyzing observations obtained with an airborne real-aperture radar (called RESSAC). This radar (C band, HH polarized, broad beam of 14° × 3°) was used during the SEMAPHORE experiment, in two different modes. From the first mode (incidence angles from 7° to 21°) the directional spectra of the long waves are deduced under the assumption that the hydrodynamic modulation can be neglected (small incidence angles) and validated against in situ measurements. From the second mode (incidence angle from 27° to 41°) the amplitude and phase of the hydrodynamic modulation are deduced by combining the measured signal modulation spectrum at a mean incidence angle of 34° and the directional wave spectrum obtained from the first mode. The results, obtained in four different wind-wave cases of the SEMAPHORE experiment, show that the modulus of the hydrodynamic modulation is larger than that of the tilt modulation. Furthermore, we find that the modulus of the hydrodynamic transfer function is several times larger (by a factor 2-12) than the theoretical value proposed in previous works and 1.5-2.5 larger than experimental values reported in recent papers. The phase of the hydrodynamic modulation is found to be close to zero for waves propagating at an angle from the wind direction and between -20° and -40° for waves propagating along the wind direction. This indicates a significant influence of the wind-wave angle on the phase of the hydrodynamic modulation, in agreement with experimental results reported in recent papers.

Photon wave function formalism for analysis of Mach–Zehnder interferometer and sum-frequency generation

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

Ritboon, Atirach, E-mail: atirach.3.14@gmail.com; Department of Physics, Faculty of Science, Prince of Songkla University, Hat Yai 90112; Daengngam, Chalongrat, E-mail: chalongrat.d@psu.ac.th

2016-08-15

Biakynicki-Birula introduced a photon wave function similar to the matter wave function that satisfies the Schrödinger equation. Its second quantization form can be applied to investigate nonlinear optics at nearly full quantum level. In this paper, we applied the photon wave function formalism to analyze both linear optical processes in the well-known Mach–Zehnder interferometer and nonlinear optical processes for sum-frequency generation in dispersive and lossless medium. Results by photon wave function formalism agree with the well-established Maxwell treatments and existing experimental verifications.

Generic short-time propagation of sharp-boundaries wave packets

NASA Astrophysics Data System (ADS)

Granot, E.; Marchewka, A.

2005-11-01

A general solution to the "shutter" problem is presented. The propagation of an arbitrary initially bounded wave function is investigated, and the general solution for any such function is formulated. It is shown that the exact solution can be written as an expression that depends only on the values of the function (and its derivatives) at the boundaries. In particular, it is shown that at short times (t << 2mx2/hbar, where x is the distance to the boundaries) the wave function propagation depends only on the wave function's values (or its derivatives) at the boundaries of the region. Finally, we generalize these findings to a non-singular wave function (i.e., for wave packets with finite-width boundaries) and suggest an experimental verification.

Numerical simulation of multi-directional random wave transformation in a yacht port

NASA Astrophysics Data System (ADS)

Ji, Qiaoling; Dong, Sheng; Zhao, Xizeng; Zhang, Guowei

2012-09-01

This paper extends a prediction model for multi-directional random wave transformation based on an energy balance equation by Mase with the consideration of wave shoaling, refraction, diffraction, reflection and breaking. This numerical model is improved by 1) introducing Wen's frequency spectrum and Mitsuyasu's directional function, which are more suitable to the coastal area of China; 2) considering energy dissipation caused by bottom friction, which ensures more accurate results for large-scale and shallow water areas; 3) taking into account a non-linear dispersion relation. Predictions using the extended wave model are carried out to study the feasibility of constructing the Ai Hua yacht port in Qingdao, China, with a comparison between two port layouts in design. Wave fields inside the port for different incident wave directions, water levels and return periods are simulated, and then two kinds of parameters are calculated to evaluate the wave conditions for the two layouts. Analyses show that Layout I is better than Layout II. Calculation results also show that the harbor will be calm for different wave directions under the design water level. On the contrary, the wave conditions do not wholly meet the requirements of a yacht port for ship berthing under the extreme water level. For safety consideration, the elevation of the breakwater might need to be properly increased to prevent wave overtopping under such water level. The extended numerical simulation model may provide an effective approach to computing wave heights in a harbor.

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

Chou, Chia-Chun, E-mail: ccchou@mx.nthu.edu.tw

The Schrödinger–Langevin equation with linear dissipation is integrated by propagating an ensemble of Bohmian trajectories for the ground state of quantum systems. Substituting the wave function expressed in terms of the complex action into the Schrödinger–Langevin equation yields the complex quantum Hamilton–Jacobi equation with linear dissipation. We transform this equation into the arbitrary Lagrangian–Eulerian version with the grid velocity matching the flow velocity of the probability fluid. The resulting equation is simultaneously integrated with the trajectory guidance equation. Then, the computational method is applied to the harmonic oscillator, the double well potential, and the ground vibrational state of methyl iodide.more » The excellent agreement between the computational and the exact results for the ground state energies and wave functions shows that this study provides a synthetic trajectory approach to the ground state of quantum systems.« less

Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach.

PubMed

Hyeon-Deuk, Kim; Ando, Koji

2014-05-07

Liquid para-hydrogen (p-H2) is a typical quantum liquid which exhibits strong nuclear quantum effects (NQEs) and thus anomalous static and dynamic properties. We propose a real-time simulation method of wave packet (WP) molecular dynamics (MD) based on non-empirical intra- and inter-molecular interactions of non-spherical hydrogen molecules, and apply it to condensed-phase p-H2. The NQEs, such as WP delocalization and zero-point energy, are taken into account without perturbative expansion of prepared model potential functions but with explicit interactions between nuclear and electron WPs. The developed MD simulation for 100 ps with 1200 hydrogen molecules is realized at feasible computational cost, by which basic experimental properties of p-H2 liquid such as radial distribution functions, self-diffusion coefficients, and shear viscosities are all well reproduced.

A complete active space valence bond method with nonorthogonal orbitals

NASA Astrophysics Data System (ADS)

Hirao, Kimihiko; Nakano, Haruyuki; Nakayama, Kenichi

1997-12-01

A complete active space self-consistent field (SCF) wave function is transformed into a valence bond type representation built from nonorthogonal orbitals, each strongly localized on a single atom. Nonorthogonal complete active space SCF orbitals are constructed by Ruedenberg's projected localization procedure so that they have maximal overlaps with the corresponding minimum basis set of atomic orbitals of the free-atoms. The valence bond structures which are composed of such nonorthogonal quasiatomic orbitals constitute the wave function closest to the concept of the oldest and most simple valence bond method. The method is applied to benzene, butadiene, hydrogen, and methane molecules and compared to the previously proposed complete active space valence bond approach with orthogonal orbitals. The results demonstrate the validity of the method as a powerful tool for describing the electronic structure of various molecules.

Decay width of hadronic molecule structure for quarks

NASA Astrophysics Data System (ADS)

Chen, Xiaozhao; Lü, Xiaofu

2018-06-01

Based on the general form of the Bethe-Salpeter wave functions for the bound states consisting of two vector fields, we obtain the general formulas for the decay widths of molecular states composed of two heavy vector mesons with arbitrary spin and parity into a heavy meson plus a light meson. In this approach, our attention is still focused on the internal structure of heavy vector mesons in the molecular state. According to the molecule state model of exotic meson, we give the generalized Bethe-Salpeter wave function of molecular state as a four-quark state. Then the observed Y (3940 ) state is considered as a molecular state consisting of two heavy vector mesons D*0D¯*0 and the strong Y (3940 )→J /ψ ω decay width is calculated. The numerical result is consistent with the experimental values.

Quantum optical signatures in strong-field laser physics: Infrared photon counting in high-order-harmonic generation.

PubMed

Gonoskov, I A; Tsatrafyllis, N; Kominis, I K; Tzallas, P

2016-09-07

We analytically describe the strong-field light-electron interaction using a quantized coherent laser state with arbitrary photon number. We obtain a light-electron wave function which is a closed-form solution of the time-dependent Schrödinger equation (TDSE). This wave function provides information about the quantum optical features of the interaction not accessible by semi-classical theories. With this approach we can reveal the quantum optical properties of high harmonic generation (HHG) process in gases by measuring the photon statistics of the transmitted infrared (IR) laser radiation. This work can lead to novel experiments in high-resolution spectroscopy in extreme-ultraviolet (XUV) and attosecond science without the need to measure the XUV light, while it can pave the way for the development of intense non-classical light sources.

Determination of excitation profile and dielectric function spatial nonuniformity in porous silicon by using WKB approach.

PubMed

He, Wei; Yurkevich, Igor V; Canham, Leigh T; Loni, Armando; Kaplan, Andrey

2014-11-03

We develop an analytical model based on the WKB approach to evaluate the experimental results of the femtosecond pump-probe measurements of the transmittance and reflectance obtained on thin membranes of porous silicon. The model allows us to retrieve a pump-induced nonuniform complex dielectric function change along the membrane depth. We show that the model fitting to the experimental data requires a minimal number of fitting parameters while still complying with the restriction imposed by the Kramers-Kronig relation. The developed model has a broad range of applications for experimental data analysis and practical implementation in the design of devices involving a spatially nonuniform dielectric function, such as in biosensing, wave-guiding, solar energy harvesting, photonics and electro-optical devices.

Dispersion and line shape of plasmon satellites in one, two, and three dimensions

DOE PAGES

Vigil-Fowler, Derek; Louie, Steven G.; Lischner, Johannes

2016-06-27

Using state-of-the-art many-body Green's function calculations based on the GW plus cumulant approach, we analyze the properties of plasmon satellites in the electron spectral function resulting from electron-plasmon interactions in one-, two-, and three-dimensional systems. Specifically, we show how their dispersion relation, line shape, and linewidth are related to the properties of the constituent electrons and plasmons. In addition, to gain insight into the many-body processes giving rise to the formation of plasmon satellites, we connect the GW plus cumulant approach to a many-body wave-function picture of electron-plasmon interactions and introduce the coupling-strength-weighted electron-plasmon joint density states as a powerfulmore » concept for understanding plasmon satellites.« less

Spatiotemporal behavior and nonlinear dynamics in a phase conjugate resonator

NASA Technical Reports Server (NTRS)

Liu, Siuying Raymond

1993-01-01

The work described can be divided into two parts. The first part is an investigation of the transient behavior and stability property of a phase conjugate resonator (PCR) below threshold. The second part is an experimental and theoretical study of the PCR's spatiotemporal dynamics above threshold. The time-dependent coupled wave equations for four-wave mixing (FWM) in a photorefractive crystal, with two distinct interaction regions caused by feedback from an ordinary mirror, was used to model the transient dynamics of a PCR below threshold. The conditions for self-oscillation were determined and the solutions were used to define the PCR's transfer function and analyze its stability. Experimental results for the buildup and decay times confirmed qualitatively the predicted behavior. Experiments were carried out above threshold to study the spatiotemporal dynamics of the PCR as a function of Pragg detuning and the resonator's Fresnel number. The existence of optical vortices in the wavefront were identified by optical interferometry. It was possible to describe the transverse dynamics and the spatiotemporal instabilities by modeling the three-dimensional-coupled wave equations in photorefractive FWM using a truncated modal expansion approach.

Shallow-water sloshing in a moving vessel with variable cross-section and wetting-drying using an extension of George's well-balanced finite volume solver

NASA Astrophysics Data System (ADS)

Alemi Ardakani, Hamid; Bridges, Thomas J.; Turner, Matthew R.

2016-06-01

A class of augmented approximate Riemann solvers due to George (2008) [12] is extended to solve the shallow-water equations in a moving vessel with variable bottom topography and variable cross-section with wetting and drying. A class of Roe-type upwind solvers for the system of balance laws is derived which respects the steady-state solutions. The numerical solutions of the new adapted augmented f-wave solvers are validated against the Roe-type solvers. The theory is extended to solve the shallow-water flows in moving vessels with arbitrary cross-section with influx-efflux boundary conditions motivated by the shallow-water sloshing in the ocean wave energy converter (WEC) proposed by Offshore Wave Energy Ltd. (OWEL) [1]. A fractional step approach is used to handle the time-dependent forcing functions. The numerical solutions are compared to an extended new Roe-type solver for the system of balance laws with a time-dependent source function. The shallow-water sloshing finite volume solver can be coupled to a Runge-Kutta integrator for the vessel motion.

Effective testing of personal protective equipment in blast loading conditions in shock tube: Comparison of three different testing locations

PubMed Central

Alay, Eren; Zheng, James Q.; Chandra, Namas

2018-01-01

We exposed a headform instrumented with 10 pressure sensors mounted flush with the surface to a shock wave with three nominal intensities: 70, 140 and 210 kPa. The headform was mounted on a Hybrid III neck, in a rigid configuration to eliminate motion and associated pressure variations. We evaluated the effect of the test location by placing the headform inside, at the end and outside of the shock tube. The shock wave intensity gradually decreases the further it travels in the shock tube and the end effect degrades shock wave characteristics, which makes comparison of the results obtained at three locations a difficult task. To resolve these issues, we developed a simple strategy of data reduction: the respective pressure parameters recorded by headform sensors were divided by their equivalents associated with the incident shock wave. As a result, we obtained a comprehensive set of non-dimensional parameters. These non-dimensional parameters (or amplification factors) allow for direct comparison of pressure waveform characteristic parameters generated by a range of incident shock waves differing in intensity and for the headform located in different locations. Using this approach, we found a correlation function which allows prediction of the peak pressure on the headform that depends only on the peak pressure of the incident shock wave (for specific sensor location on the headform), and itis independent on the headform location. We also found a similar relationship for the rise time. However, for the duration and impulse, comparable correlation functions do not exist. These findings using a headform with simplified geometry are baseline values and address a need for the development of standardized parameters for the evaluation of personal protective equipment (PPE) under shock wave loading. PMID:29894521

Highly efficient full-wave electromagnetic analysis of 3-D arbitrarily shaped waveguide microwave devices using an integral equation technique

NASA Astrophysics Data System (ADS)

Vidal, A.; San-Blas, A. A.; Quesada-Pereira, F. D.; Pérez-Soler, J.; Gil, J.; Vicente, C.; Gimeno, B.; Boria, V. E.

2015-07-01

A novel technique for the full-wave analysis of 3-D complex waveguide devices is presented. This new formulation, based on the Boundary Integral-Resonant Mode Expansion (BI-RME) method, allows the rigorous full-wave electromagnetic characterization of 3-D arbitrarily shaped metallic structures making use of extremely low CPU resources (both time and memory). The unknown electric current density on the surface of the metallic elements is represented by means of Rao-Wilton-Glisson basis functions, and an algebraic procedure based on a singular value decomposition is applied to transform such functions into the classical solenoidal and nonsolenoidal basis functions needed by the original BI-RME technique. The developed tool also provides an accurate computation of the electromagnetic fields at an arbitrary observation point of the considered device, so it can be used for predicting high-power breakdown phenomena. In order to validate the accuracy and efficiency of this novel approach, several new designs of band-pass waveguides filters are presented. The obtained results (S-parameters and electromagnetic fields) are successfully compared both to experimental data and to numerical simulations provided by a commercial software based on the finite element technique. The results obtained show that the new technique is specially suitable for the efficient full-wave analysis of complex waveguide devices considering an integrated coaxial excitation, where the coaxial probes may be in contact with the metallic insets of the component.

Mapping gravitational-wave backgrounds using methods from CMB analysis: Application to pulsar timing arrays

NASA Astrophysics Data System (ADS)

Gair, Jonathan; Romano, Joseph D.; Taylor, Stephen; Mingarelli, Chiara M. F.

2014-10-01

We describe an alternative approach to the analysis of gravitational-wave backgrounds, based on the formalism used to characterize the polarization of the cosmic microwave background. In contrast to standard analyses, this approach makes no assumptions about the nature of the background and so has the potential to reveal much more about the physical processes that generated it. An arbitrary background can be decomposed into modes whose angular dependence on the sky is given by gradients and curls of spherical harmonics. We derive the pulsar timing overlap reduction functions for the individual modes, which are given by simple combinations of spherical harmonics evaluated at the pulsar locations. We show how these can be used to recover the components of an arbitrary background, giving explicit results for both isotropic and anisotropic uncorrelated backgrounds. We also find that the response of a pulsar timing array to curl modes is identically zero, so half of the gravitational-wave sky will never be observed using pulsar timing, no matter how many pulsars are included in the array. An isotropic, unpolarized and uncorrelated background can be accurately represented using only three modes, and so a search of this type will be only slightly more complicated than the standard cross-correlation search using the Hellings and Downs overlap reduction function. However, by measuring the components of individual modes of the background and checking for consistency with isotropy, this approach has the potential to reveal much more information. Each individual mode on its own describes a background that is correlated between different points on the sky. A measurement of the components that indicates the presence of correlations in the background on large angular scales would suggest startling new physics.

Numerical study of alfvénic wave activity in the solar wind as a cause for pitch angle scattering with focus on kinetic processes

NASA Astrophysics Data System (ADS)

Keilbach, D.; Berger, L.; Drews, C.; Marsch, E.; Wimmer-Schweingruber, R. F.

2017-12-01

Recent studies, that determined the inflow longitude of the local interstellar medium from the anisotropy of interstellar pickup ion (PUI) radial velocity, have once again raised the question, how transport effects and especially wave activity in the solar wind modifies the velocity distribution function of PUIs.This study investigates the modification of an oxygen PUI torus distribution by alfvénic waves qualitatively with a numerical approach. The focus of this study is to understand this modification kinetically, which means, that instead of describing the PUI transport through diffusion approaches, we trace the trajectories of test particles in pitch angle space with a time resolution of at least 100 time steps per gyro orbit in order to find first principles of wave particle interactions on the most basic scale.Therefore we have implemented a Leapfrog solver of the Lorentz-Newton equations of motion for a charged test particle in a electro-magnetic field. The alfvénic waves were represented through a continuous circularly polarized wave superimposed to a constant 5 nT background magnetic field. In addition an electric field arising from induction has been added to the simulation's boundary conditions. The simulation code computes the particles' trajectories in the solar wind bulk system.Upon interaction with mono frequent single-frequency waves, the particles are found to perform stationary trajectories in pitch angle space, so that the pitch angle distribution of a conglomerate of test particles does not experience a systematic broadening over time. Also the particles do not react most strongly with waves at resonant frequencies, since the pitch angle modification by the waves sweeps their parallel velocity out of resonance quickly. However, within frequencies close to first order resonance, strong interactions between waves and particles are observed.Altogether the framework of our simulation is readily expandable to simulate additional effects, which may modify the test particles' pitch angle distribution strongly (e.g. collisions with solar wind particles or gradient drifts). So far we have expanded the simulation to support intermittent waves, where we have observed, that the pitch angle distribution of the test particles broadens systematically over time.

Generation of intermittent gravitocapillary waves via parametric forcing

NASA Astrophysics Data System (ADS)

Castillo, Gustavo; Falcón, Claudio

2018-04-01

We report on the generation of an intermittent wave field driven by a horizontally moving wave maker interacting with Faraday waves. The spectrum of the local gravitocapillary surface wave fluctuations displays a power law in frequency for a wide range of forcing parameters. We compute the probability density function of the local surface height increments, which show that they change strongly across time scales. The structure functions of these increments are shown to display power laws as a function of the time lag, with exponents that are nonlinear functions of the order of the structure function. We argue that the origin of this scale-invariant intermittent spectrum is the Faraday wave pattern breakup due to its advection by the propagating gravity waves. Finally, some interpretations are proposed to explain the appearance of this intermittent spectrum.

Interface waves in multilayered plates.

PubMed

Li, Bing; Li, Ming-Hang; Lu, Tong

2018-04-01

In this paper, the characteristic equation of interface waves in multilayered plates is derived. With a reasonable assumption undertaken for the potential functions of longitudinal and shear waves in the nth layer medium, the characteristic equation of interface waves in the N-layered plate is derived and presented in a determinant form. The particle displacement and stress components are further presented in explicit forms. The dispersion curves and wave structures of interface waves in both a three-layered Al-Steel-Ti and a four-layered Steel-Al-Steel-Ti plate are displayed subsequently. It is observed in dispersion curves that obvious dispersion occurs on the low frequency band, whereas the phase velocities converge to the corresponding true Stoneley wave mode velocities at high frequency, and the number of interface wave modes equals the number of interfaces in multilayered plates (if all individual interfaces satisfy the existence condition of Stoneley waves). The wave structures reveal that the displacement components of interface waves are relatively high at interfaces, and the amplitude distribution varies from frequency to frequency. In the end, a similarly structured three-layered Al-Steel-Ti plate is tested. In this experiment, theoretical group velocity and experimental group velocity are compared. According to the discussion and comparison, the predicted group velocities are in good agreement with the experimental results. Thus, the theory of interface wave in multilayered plates is proved. As a result, the proposed theoretical approach represents a leap forward in the understanding of how to promote the characteristic study and practical applications of interface waves in multilayered structures.

Theoretical Studies of Chemical Reactions following Electronic Excitation

NASA Technical Reports Server (NTRS)

Chaban, Galina M.

2003-01-01

The use of multi-configurational wave functions is demonstrated for several processes: tautomerization reactions in the ground and excited states of the DNA base adenine, dissociation of glycine molecule after electronic excitation, and decomposition/deformation of novel rare gas molecules HRgF. These processes involve bond brealung/formation and require multi-configurational approaches that include dynamic correlation.

A single-sided representation for the homogeneous Green's function of a unified scalar wave equation.

PubMed

Wapenaar, Kees

2017-06-01

A unified scalar wave equation is formulated, which covers three-dimensional (3D) acoustic waves, 2D horizontally-polarised shear waves, 2D transverse-electric EM waves, 2D transverse-magnetic EM waves, 3D quantum-mechanical waves and 2D flexural waves. The homogeneous Green's function of this wave equation is a combination of the causal Green's function and its time-reversal, such that their singularities at the source position cancel each other. A classical representation expresses this homogeneous Green's function as a closed boundary integral. This representation finds applications in holographic imaging, time-reversed wave propagation and Green's function retrieval by cross correlation. The main drawback of the classical representation in those applications is that it requires access to a closed boundary around the medium of interest, whereas in many practical situations the medium can be accessed from one side only. Therefore, a single-sided representation is derived for the homogeneous Green's function of the unified scalar wave equation. Like the classical representation, this single-sided representation fully accounts for multiple scattering. The single-sided representation has the same applications as the classical representation, but unlike the classical representation it is applicable in situations where the medium of interest is accessible from one side only.

Offshore remote sensing of the ocean by stereo vision systems

NASA Astrophysics Data System (ADS)

Gallego, Guillermo; Shih, Ping-Chang; Benetazzo, Alvise; Yezzi, Anthony; Fedele, Francesco

2014-05-01

In recent years, remote sensing imaging systems for the measurement of oceanic sea states have attracted renovated attention. Imaging technology is economical, non-invasive and enables a better understanding of the space-time dynamics of ocean waves over an area rather than at selected point locations of previous monitoring methods (buoys, wave gauges, etc.). We present recent progress in space-time measurement of ocean waves using stereo vision systems on offshore platforms, which focus on sea states with wavelengths in the range of 0.01 m to 1 m. Both traditional disparity-based systems and modern elevation-based ones are presented in a variational optimization framework: the main idea is to pose the stereoscopic reconstruction problem of the surface of the ocean in a variational setting and design an energy functional whose minimizer is the desired temporal sequence of wave heights. The functional combines photometric observations as well as spatial and temporal smoothness priors. Disparity methods estimate the disparity between images as an intermediate step toward retrieving the depth of the waves with respect to the cameras, whereas elevation methods estimate the ocean surface displacements directly in 3-D space. Both techniques are used to measure ocean waves from real data collected at offshore platforms in the Black Sea (Crimean Peninsula, Ukraine) and the Northern Adriatic Sea (Venice coast, Italy). Then, the statistical and spectral properties of the resulting oberved waves are analyzed. We show the advantages and disadvantages of the presented stereo vision systems and discuss furure lines of research to improve their performance in critical issues such as the robustness of the camera calibration in spite of undesired variations of the camera parameters or the processing time that it takes to retrieve ocean wave measurements from the stereo videos, which are very large datasets that need to be processed efficiently to be of practical usage. Multiresolution and short-time approaches would improve efficiency and scalability of the techniques so that wave displacements are obtained in feasible times.

High lateral resolution exploration using surface waves from noise records

NASA Astrophysics Data System (ADS)

Chávez-García, Francisco José Yokoi, Toshiaki

2016-04-01

Determination of the shear-wave velocity structure at shallow depths is a constant necessity in engineering or environmental projects. Given the sensitivity of Rayleigh waves to shear-wave velocity, subsoil structure exploration using surface waves is frequently used. Methods such as the spectral analysis of surface waves (SASW) or multi-channel analysis of surface waves (MASW) determine phase velocity dispersion from surface waves generated by an active source recorded on a line of geophones. Using MASW, it is important that the receiver array be as long as possible to increase the precision at low frequencies. However, this implies that possible lateral variations are discarded. Hayashi and Suzuki (2004) proposed a different way of stacking shot gathers to increase lateral resolution. They combined strategies used in MASW with the common mid-point (CMP) summation currently used in reflection seismology. In their common mid-point with cross-correlation method (CMPCC), they cross-correlate traces sharing CMP locations before determining phase velocity dispersion. Another recent approach to subsoil structure exploration is based on seismic interferometry. It has been shown that cross-correlation of a diffuse field, such as seismic noise, allows the estimation of the Green's Function between two receivers. Thus, a virtual-source seismic section may be constructed from the cross-correlation of seismic noise records obtained in a line of receivers. In this paper, we use the seismic interferometry method to process seismic noise records obtained in seismic refraction lines of 24 geophones, and analyse the results using CMPCC to increase the lateral resolution of the results. Cross-correlation of the noise records allows reconstructing seismic sections with virtual sources at each receiver location. The Rayleigh wave component of the Green's Functions is obtained with a high signal-to-noise ratio. Using CMPCC analysis of the virtual-source seismic lines, we are able to identify lateral variations of phase velocity inside the seismic line, and increase the lateral resolution compared with results of conventional analysis.

Love and Rayleigh wave dispersion from regional Ambient Noise Tomography in the Eastern Alps of Europe

NASA Astrophysics Data System (ADS)

Behm, Michael; Nakata, Nori; Bianchi, Irene; Bokelmann, Götz

2014-05-01

ALPASS is an international passive seismic monitoring experiment aimed at understanding the upper mantle structure in the in the European Eastern Alps. Data were collected from May 2005 to June 2006 at about 50 locations with an average spacing of 20 km, and have been used for teleseismic travel time tomography and receiver function analysis in previous studies. We combine the ALPASS data from 23 broadband stations with additional data from the temporary CBP (Carpathian Basin Project) network (15 stations), and present results from ambient noise tomography applied to the region covering the easternmost part of the Alps and its transition to the adjacent tectonic provinces (Vienna Basin, Bohemian Massif, Dinarides). By turning each station into a virtual source, we are able to recover surface waves in the frequency range of 0.05 - 0.5 Hz, which are sensitive to depths of approximately 2 - 15 kilometers. The three-component recordings allow distinguishing between Rayleigh waves on the vertical/radial components and Love waves on the transverse component. On average, the Love waves have higher apparent velocity by about 15%. Owing to dense receiver spacing and high S/N ratio of the obtained interferograms, we are able to derive a large set of dispersion curves. The complicated 3D structure of the investigated region calls for a tomographic approach to transform these dispersion curves to be representative of local 1D structures. The results correlate well with surface geology and provide the input to inversion for the vertical shear-wave velocity distribution. Compared to data from active source experiments, we derive lower average shear wave velocities. This observation is comparable to receiver functions analysis which show a high Vp/Vs ratio for the area of the Molasse basin, where the shear wave velocities retrieved from the surface wave inversion are in particular low.

Role of perinuclear mitochondria in the spatiotemporal dynamics of spontaneous Ca2+ waves in interstitial cells of Cajal-like cells of the rabbit urethra

PubMed Central

Hashiatni, Hikaru; Lang, Richard J; Suzuki, Hikaru

2010-01-01

BACKGROUND AND PURPOSE Although spontaneous Ca2+ waves in interstitial cells of Cajal (ICC)-like cells (ICC-LCs) primarily arise from endoplasmic reticulum (ER) Ca2+ release, the interactions among mitochondrial Ca2+ buffering, cellular energetics and ER Ca2+ release in determining the spatiotemporal dynamics of intracellular Ca2+ remain to be elucidated. EXPERIMENTAL APPROACH Spontaneous Ca2+ transients in freshly isolated ICC-LCs of the rabbit urethra were visualized using fluo-4 Ca2+ imaging, while the intracellular distribution of mitochondria was viewed with MitoTracker Red. KEY RESULTS Spontaneous Ca2+ waves invariably originated from the perinuclear region where clusters of mitochondria surround the nucleus. Perinuclear Ca2+ dynamics were characterized by a gradual rise in basal Ca2+ that preceded each regenerative Ca2+ transient. Caffeine evoked oscillatory Ca2+ waves originating from anywhere within ICC-LCs. Ryanodine or cyclopiazonic acid prevented Ca2+ wave generation with a rise in basal Ca2+, and subsequent caffeine evoked a single rudimentary Ca2+ transient. Inhibition of glycolysis with 2-deoxy-glucose or carbonyl cyanide 3-chlorophenylhydrazone, a mitochondrial protonophore, increased basal Ca2+ and abolished Ca2+ waves. However, caffeine still induced oscillatory Ca2+ transients. Mitochondrial Ca2+ uptake inhibition with RU360 attenuated Ca2+ wave amplitudes, while mitochondrial Ca2+ efflux inhibition with CGP37157 suppressed the initial Ca2+ rise to reduce Ca2+ wave frequency. CONCLUSIONS AND IMPLICATIONS Perinuclear mitochondria in ICC-LCs play a dominant role in the spatial regulation of Ca2+ wave generation and may regulate ER Ca2+ release frequency by buffering Ca2+ within microdomains between both organelles. Glycolysis inhibition reduced mitochondrial Ca2+ buffering without critically disrupting ER function. Perinuclear mitochondria may function as sensors of intracellular metabolites. PMID:20880405

Extreme wind-wave modeling and analysis in the south Atlantic ocean

NASA Astrophysics Data System (ADS)

Campos, R. M.; Alves, J. H. G. M.; Guedes Soares, C.; Guimaraes, L. G.; Parente, C. E.

2018-04-01

A set of wave hindcasts is constructed using two different types of wind calibration, followed by an additional test retuning the input source term Sin in the wave model. The goal is to improve the simulation in extreme wave events in the South Atlantic Ocean without compromising average conditions. Wind fields are based on Climate Forecast System Reanalysis (CFSR/NCEP). The first wind calibration applies a simple linear regression model, with coefficients obtained from the comparison of CFSR against buoy data. The second is a method where deficiencies of the CFSR associated with severe sea state events are remedied, whereby "defective" winds are replaced with satellite data within cyclones. A total of six wind datasets forced WAVEWATCH-III and additional three tests with modified Sin in WAVEWATCH III lead to a total of nine wave hindcasts that are evaluated against satellite and buoy data for ambient and extreme conditions. The target variable considered is the significant wave height (Hs). The increase of sea-state severity shows a progressive increase of the hindcast underestimation which could be calculated as a function of percentiles. The wind calibration using a linear regression function shows similar results to the adjustments to Sin term (increase of βmax parameter) in WAVEWATCH-III - it effectively reduces the average bias of Hs but cannot avoid the increase of errors with percentiles. The use of blended scatterometer winds within cyclones could reduce the increasing wave hindcast errors mainly above the 93rd percentile and leads to a better representation of Hs at the peak of the storms. The combination of linear regression calibration of non-cyclonic winds with scatterometer winds within the cyclones generated a wave hindcast with small errors from calm to extreme conditions. This approach led to a reduction of the percentage error of Hs from 14% to less than 8% for extreme waves, while also improving the RMSE.

Stress Wave Source Characterization: Impact, Fracture, and Sliding Friction

NASA Astrophysics Data System (ADS)

McLaskey, Gregory Christofer

Rapidly varying forces, such as those associated with impact, rapid crack propagation, and fault rupture, are sources of stress waves which propagate through a solid body. This dissertation investigates how properties of a stress wave source can be identified or constrained using measurements recorded at an array of sensor sites located far from the source. This methodology is often called the method of acoustic emission and is useful for structural health monitoring and the noninvasive study of material behavior such as friction and fracture. In this dissertation, laboratory measurements of 1--300 mm wavelength stress waves are obtained by means of piezoelectric sensors which detect high frequency (10 kHz--3MHz) motions of a specimen's surface, picometers to nanometers in amplitude. Then, stress wave source characterization techniques are used to study ball impact, drying shrinkage cracking in concrete, and the micromechanics of stick-slip friction of Poly(methyl methacrylate) (PMMA) and rock/rock interfaces. In order to quantitatively relate recorded signals obtained with an array of sensors to a particular stress wave source, wave propagation effects and sensor distortions must be accounted for. This is achieved by modeling the physics of wave propagation and transduction as linear transfer functions. Wave propagation effects are precisely modeled by an elastodynamic Green's function, sensor distortion is characterized by an instrument response function, and the stress wave source is represented with a force moment tensor. These transfer function models are verified though calibration experiments which employ two different mechanical calibration sources: ball impact and glass capillary fracture. The suitability of the ball impact source model, based on Hertzian contact theory, is experimentally validated for small (˜1 mm) balls impacting massive plates composed of four different materials: aluminum, steel, glass, and PMMA. Using this transfer function approach and the two mechanical calibration sources, four types of piezoelectric sensors were calibrated: three commercially available sensors and the Glaser-type conical piezoelectric sensor, which was developed in the Glaser laboratory. The distorting effects of each sensor are modeled using autoregressive-moving average (ARMA) models, and because vital phase information is robustly incorporated into these models, they are useful for simulating or removing sensor-induced distortions, so that a displacement time history can be retrieved from recorded signals. The Glaser-type sensor was found to be very well modeled as a unidirectional displacement sensor which detects stress wave disturbances down to about 1 picometer in amplitude. Finally, the merits of a fully calibrated experimental system are demonstrated in a study of stress wave sources arising from sliding friction, and the relationship between those sources and earthquakes. A laboratory friction apparatus was built for this work which allows the micro-mechanisms of friction to be studied with stress wave analysis. Using an array of 14 Glaser-type sensors, and precise models of wave propagation effects and the sensor distortions, the physical origins of the stress wave sources are explored. Force-time functions and focal mechanisms are determined for discrete events found amid the "noise" of friction. These localized events are interpreted to be the rupture of micrometer-sized contacts, known as asperities. By comparing stress wave sources from stick-slip experiments on plastic/plastic and rock/rock interfaces, systematic differences were found. The rock interface produces very rapid (<1 microsecond) implosive forces indicative of brittle asperity failure and fault gouge formation, while rupture on the plastic interface releases only shear force and produces a source more similar to earthquakes commonly recorded in the field. The difference between the mechanisms is attributed to the vast differences in the hardness and melting temperatures of the two materials, which affect the distribution of asperities as well as their failure behavior. With proper scaling, the strong link between material properties and laboratory earthquakes will aid in our understanding of fault mechanics and the generation of earthquakes and seismic tremor.

Application of the nudged elastic band method to the point-to-point radio wave ray tracing in IRI modeled ionosphere

NASA Astrophysics Data System (ADS)

Nosikov, I. A.; Klimenko, M. V.; Bessarab, P. F.; Zhbankov, G. A.

2017-07-01

Point-to-point ray tracing is an important problem in many fields of science. While direct variational methods where some trajectory is transformed to an optimal one are routinely used in calculations of pathways of seismic waves, chemical reactions, diffusion processes, etc., this approach is not widely known in ionospheric point-to-point ray tracing. We apply the Nudged Elastic Band (NEB) method to a radio wave propagation problem. In the NEB method, a chain of points which gives a discrete representation of the radio wave ray is adjusted iteratively to an optimal configuration satisfying the Fermat's principle, while the endpoints of the trajectory are kept fixed according to the boundary conditions. Transverse displacements define the radio ray trajectory, while springs between the points control their distribution along the ray. The method is applied to a study of point-to-point ionospheric ray tracing, where the propagation medium is obtained with the International Reference Ionosphere model taking into account traveling ionospheric disturbances. A 2-dimensional representation of the optical path functional is developed and used to gain insight into the fundamental difference between high and low rays. We conclude that high and low rays are minima and saddle points of the optical path functional, respectively.

Probability function of breaking-limited surface elevation. [wind generated waves of ocean

NASA Technical Reports Server (NTRS)

Tung, C. C.; Huang, N. E.; Yuan, Y.; Long, S. R.

1989-01-01

The effect of wave breaking on the probability function of surface elevation is examined. The surface elevation limited by wave breaking zeta sub b(t) is first related to the original wave elevation zeta(t) and its second derivative. An approximate, second-order, nonlinear, non-Gaussian model for zeta(t) of arbitrary but moderate bandwidth is presented, and an expression for the probability density function zeta sub b(t) is derived. The results show clearly that the effect of wave breaking on the probability density function of surface elevation is to introduce a secondary hump on the positive side of the probability density function, a phenomenon also observed in wind wave tank experiments.

Assessment of renal injury with a clinical dual head lithotriptor delivering 240 shock waves per minute.

PubMed

Handa, Rajash K; McAteer, James A; Evan, Andrew P; Connors, Bret A; Pishchalnikov, Yuri A; Gao, Sujuan

2009-02-01

Lithotriptors with 2 treatment heads deliver shock waves along separate paths. Firing 1 head and then the other in alternating mode has been suggested as a strategy to treat stones twice as rapidly as with conventional shock wave lithotripsy. Because the shock wave rate is known to have a role in shock wave lithotripsy induced injury, and given that treatment using 2 separate shock wave sources exposes more renal tissue to shock wave energy than treatment with a conventional lithotriptor, we assessed renal trauma in pigs following treatment at rapid rate (240 shock waves per minute and 120 shock waves per minute per head) using a Duet lithotriptor (Direx Medical Systems, Petach Tikva, Israel) fired in alternating mode. Eight adult female pigs (Hardin Farms, Danville, Indiana) each were treated with sham shock wave lithotripsy or 2,400 shock waves delivered in alternating mode (1,200 shock waves per head, 120 shock waves per minute per head and 240 shock waves per minute overall at a power level of 10) to the lower renal pole. Renal functional parameters, including glomerular filtration rate and effective renal plasma flow, were determined before and 1 hour after shock wave lithotripsy. The kidneys were perfusion fixed in situ and the hemorrhagic lesion was quantified as a percent of functional renal volume. Shock wave treatment resulted in no significant change in renal function and the response was similar to the functional response seen in sham shock wave treated animals. In 6 pigs treated with alternating mode the renal lesion was small at a mean +/- SEM of 0.22% +/- 0.09% of functional renal volume. Kidney tissue and function were minimally affected by a clinical dose of shock waves delivered in alternating mode (120 shock waves per minute per head and 240 shock waves per minute overall) with a Duet lithotriptor. These observations decrease concern that dual head lithotripsy at a rapid rate is inherently dangerous.

Free iterative-complement-interaction calculations of the hydrogen molecule

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

Kurokawa, Yusaku; Nakashima, Hiroyuki; Nakatsuji, Hiroshi

2005-12-15

The free iterative-complement-interaction (ICI) method based on the scaled Schroedinger equation proposed previously has been applied to the calculations of very accurate wave functions of the hydrogen molecule in an analytical expansion form. All the variables were determined with the variational principle by calculating the necessary integrals analytically. The initial wave function and the scaling function were changes to see the effects on the convergence speed of the ICI calculations. The free ICI wave functions that were generated automatically were different from the existing wave functions, and this difference was shown to be physically important. The best wave function reportedmore » in this paper seems to be the best worldwide in the literature from the variational point of view. The quality of the wave function was examined by calculating the nuclear and electron cusps.« less

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions

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

West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the non-bonded juxtaposed quasi-atoms andmore » a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions

DOE PAGES

West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.; ...

2017-01-30

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the non-bonded juxtaposed quasi-atoms andmore » a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

Coherent molecular transistor: control through variation of the gate wave function.

PubMed

Ernzerhof, Matthias

2014-03-21

In quantum interference transistors (QUITs), the current through the device is controlled by variation of the gate component of the wave function that interferes with the wave function component joining the source and the sink. Initially, mesoscopic QUITs have been studied and more recently, QUITs at the molecular scale have been proposed and implemented. Typically, in these devices the gate lead is subjected to externally adjustable physical parameters that permit interference control through modifications of the gate wave function. Here, we present an alternative model of a molecular QUIT in which the gate wave function is directly considered as a variable and the transistor operation is discussed in terms of this variable. This implies that we specify the gate current as well as the phase of the gate wave function component and calculate the resulting current through the source-sink channel. Thus, we extend on prior works that focus on the phase of the gate wave function component as a control parameter while having zero or certain discrete values of the current. We address a large class of systems, including finite graphene flakes, and obtain analytic solutions for how the gate wave function controls the transistor.

Advanced Sine Wave Modulation of Continuous Wave Laser System for Atmospheric CO2 Differential Absorption Measurements

NASA Technical Reports Server (NTRS)

Campbell, Joel F.; Lin, Bing; Nehrir, Amin R.

2014-01-01

NASA Langley Research Center in collaboration with ITT Exelis have been experimenting with Continuous Wave (CW) laser absorption spectrometer (LAS) as a means of performing atmospheric CO2 column measurements from space to support the Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) mission.Because range resolving Intensity Modulated (IM) CW lidar techniques presented here rely on matched filter correlations, autocorrelation properties without side lobes or other artifacts are highly desirable since the autocorrelation function is critical for the measurements of lidar return powers, laser path lengths, and CO2 column amounts. In this paper modulation techniques are investigated that improve autocorrelation properties. The modulation techniques investigated in this paper include sine waves modulated by maximum length (ML) sequences in various hardware configurations. A CW lidar system using sine waves modulated by ML pseudo random noise codes is described, which uses a time shifting approach to separate channels and make multiple, simultaneous online/offline differential absorption measurements. Unlike the pure ML sequence, this technique is useful in hardware that is band pass filtered as the IM sine wave carrier shifts the main power band. Both amplitude and Phase Shift Keying (PSK) modulated IM carriers are investigated that exibit perfect autocorrelation properties down to one cycle per code bit. In addition, a method is presented to bandwidth limit the ML sequence based on a Gaussian filter implemented in terms of Jacobi theta functions that does not seriously degrade the resolution or introduce side lobes as a means of reducing aliasing and IM carrier bandwidth.

Improved Holistic Analysis of Rayleigh Waves for Single- and Multi-Offset Data: Joint Inversion of Rayleigh-Wave Particle Motion and Vertical- and Radial-Component Velocity Spectra

NASA Astrophysics Data System (ADS)

Dal Moro, Giancarlo; Moustafa, Sayed S. R.; Al-Arifi, Nassir S.

2018-01-01

Rayleigh waves often propagate according to complex mode excitation so that the proper identification and separation of specific modes can be quite difficult or, in some cases, just impossible. Furthermore, the analysis of a single component (i.e., an inversion procedure based on just one objective function) necessarily prevents solving the problems related to the non-uniqueness of the solution. To overcome these issues and define a holistic analysis of Rayleigh waves, we implemented a procedure to acquire data that are useful to define and efficiently invert the three objective functions defined from the three following "objects": the velocity spectra of the vertical- and radial-components and the Rayleigh-wave particle motion (RPM) frequency-offset data. Two possible implementations are presented. In the first case we consider classical multi-offset (and multi-component) data, while in a second possible approach we exploit the data recorded by a single three-component geophone at a fixed offset from the source. Given the simple field procedures, the method could be particularly useful for the unambiguous geotechnical exploration of large areas, where more complex acquisition procedures, based on the joint acquisition of Rayleigh and Love waves, would not be economically viable. After illustrating the different kinds of data acquisition and the data processing, the results of the proposed methodology are illustrated in a case study. Finally, a series of theoretical and practical aspects are discussed to clarify some issues involved in the overall procedure (data acquisition and processing).

Computational aspects of the continuum quaternionic wave functions for hydrogen

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

Morais, J., E-mail: joao.pedro.morais@ua.pt

Over the past few years considerable attention has been given to the role played by the Hydrogen Continuum Wave Functions (HCWFs) in quantum theory. The HCWFs arise via the method of separation of variables for the time-independent Schrödinger equation in spherical coordinates. The HCWFs are composed of products of a radial part involving associated Laguerre polynomials multiplied by exponential factors and an angular part that is the spherical harmonics. In the present paper we introduce the continuum wave functions for hydrogen within quaternionic analysis ((R)QHCWFs), a result which is not available in the existing literature. In particular, the underlying functionsmore » are of three real variables and take on either values in the reduced and full quaternions (identified, respectively, with R{sup 3} and R{sup 4}). We prove that the (R)QHCWFs are orthonormal to one another. The representation of these functions in terms of the HCWFs are explicitly given, from which several recurrence formulae for fast computer implementations can be derived. A summary of fundamental properties and further computation of the hydrogen-like atom transforms of the (R)QHCWFs are also discussed. We address all the above and explore some basic facts of the arising quaternionic function theory. As an application, we provide the reader with plot simulations that demonstrate the effectiveness of our approach. (R)QHCWFs are new in the literature and have some consequences that are now under investigation.« less

Parity-violating electric-dipole transitions in helium

NASA Technical Reports Server (NTRS)

Hiller, J.; Sucher, J.; Bhatia, A. K.; Feinberg, G.

1980-01-01

The paper examines parity-violating electric-dipole transitions in He in order to gain insight into the reliability of approximate calculations which are carried out for transitions in many-electron atoms. The contributions of the nearest-lying states are computed with a variety of wave functions, including very simple product wave functions, Hartree-Fock functions and Hylleraas-type wave functions with up to 84 parameters. It is found that values of the matrix elements of the parity-violating interaction can differ considerably from the values obtained from the good wave functions, even when these simple wave functions give accurate values for the matrix elements in question

Fast algorithm for calculation of the moving tsunami wave height

NASA Astrophysics Data System (ADS)

Krivorotko, Olga; Kabanikhin, Sergey

2014-05-01

One of the most urgent problems of mathematical tsunami modeling is estimation of a tsunami wave height while a wave approaches to the coastal zone. There are two methods for solving this problem, namely, Airy-Green formula in one-dimensional case ° --- S(x) = S(0) 4 H(0)/H (x), and numerical solution of an initial-boundary value problem for linear shallow water equations ( { ηtt = div (gH (x,y)gradη), (x,y,t) ∈ ΩT := Ω ×(0,T); ( η|t=0 = q(x,y), ηt|t=0 = 0, (x,y ) ∈ Ω := (0,Lx)× (0,Ly ); (1) η|δΩT = 0. Here η(x,y,t) is the free water surface vertical displacement, H(x,y) is the depth at point (x,y), q(x,y) is the initial amplitude of a tsunami wave, S(x) is a moving tsunami wave height at point x. The main difficulty problem of tsunami modeling is a very big size of the computational domain ΩT. The calculation of the function η(x,y,t) of three variables in ΩT requires large computing resources. We construct a new algorithm to solve numerically the problem of determining the moving tsunami wave height which is based on kinematic-type approach and analytical representation of fundamental solution (2). The wave is supposed to be generated by the seismic fault of the bottom η(x,y,0) = g(y) ·θ(x), where θ(x) is a Heaviside theta-function. Let τ(x,y) be a solution of the eikonal equation 1 τ2x +τ2y = --, gH (x,y) satisfying initial conditions τ(0,y) = 0 and τx(0,y) = (gH (0,y))-1/2. Introducing new variables and new functions: ° -- z = τ(x,y), u(z,y,t) = ηt(x,y,t), b(z,y) = gH(x,y). We obtain an initial-boundary value problem in new variables from (1) ( 2 2 (2 bz- ) { utt = uzz + b uyy + 2b τyuzy + b(τxx + τyy) + 2b + 2bbyτy uz+ ( +2b(bzτy + by)uy, z,y- >2 0,t > 0,2 -1/2 u|t 0,t > 0. Then after some mathematical transformation we get the structure of the function u(x,y,t) in the form u(z,y,t) = S(z,y)·θ(t - z) + ˜u(z,y,t). (2) Here Å©(z,y,t) is a smooth function, S(z,y) is the solution of the problem: { S + b2τ S + (1b2(τ +τ )+ bz+ bb τ )S = 0, z,y > 0, z ygy(y)( 2-2 xx yy2 b)-1/2y y (3) S(0,y) = 2 b (0,y)- τy(0,y) , y > 0. Note that the problem (3) is two-dimensional which allows one to reduce the number of operations in 1.5 times. The algorithm makes it possible to calculate the moving tsunami wave height S(z,y) coming to a given point (z0,y0) as well as the arrival time. This work was supported by the Russian Foundation for Basic Research (project No. 12-01-00773 «Theory and Numerical Methods for Solving Combined Inverse Problems of Mathematical Physics») and interdisciplinary project of SB RAS 14 «Inverse Problems and Applications: Theory, Algorithms, Software».

Modeling and inversion of the microtremor H/ V spectral ratio: physical basis behind the diffuse field approach

NASA Astrophysics Data System (ADS)

Sánchez-Sesma, Francisco J.

2017-07-01

Microtremor H/ V spectral ratio (MHVSR) has gained popularity to assess the dominant frequency of soil sites. It requires measurement of ground motion due to seismic ambient noise at a site and a relatively simple processing. Theory asserts that the ensemble average of the autocorrelation of motion components belonging to a diffuse field at a given receiver gives the directional energy densities (DEDs) which are proportional to the imaginary parts of the Green's function components when both source and receiver are the same point and the directions of force and response coincide. Therefore, the MHVSR can be modeled as the square root of 2 × Im G 11/Im G 33, where Im G 11 and Im G 33 are the imaginary parts of Green's functions at the load point for the horizontal (sub-index 1) and vertical (sub-index 3) components, respectively. This connection has physical implications that emerge from the duality DED force and allows understanding the behavior of the MHVSR. For a given model, the imaginary parts of the Green's functions are integrals along a radial wavenumber. To deal with these integrals, we have used either the popular discrete wavenumber method or the Cauchy's residue theorem at the poles that account for surface waves normal modes giving the contributions due to Rayleigh and Love waves. For the retrieval of the velocity structure, one can minimize the weighted differences between observations and calculated values using the strategy of an inversion scheme. In this research, we used simulated annealing but other optimization techniques can be used as well. This last approach allows computing separately the contributions of different wave types. An example is presented for the mouth of Andarax River at Almería, Spain. [Figure not available: see fulltext.

Gutzwiller wave-function solution for Anderson lattice model: Emerging universal regimes of heavy quasiparticle states

NASA Astrophysics Data System (ADS)

Wysokiński, Marcin M.; Kaczmarczyk, Jan; Spałek, Jozef

2015-09-01

The recently proposed diagrammatic expansion (DE) technique for the full Gutzwiller wave function (GWF) is applied to the Anderson lattice model. This approach allows for a systematic evaluation of the expectation values with full Gutzwiller wave function in finite-dimensional systems. It introduces results extending in an essential manner those obtained by means of the standard Gutzwiller approximation (GA), which is variationally exact only in infinite dimensions. Within the DE-GWF approach we discuss the principal paramagnetic properties and their relevance to heavy-fermion systems. We demonstrate the formation of an effective, narrow f band originating from atomic f -electron states and subsequently interpret this behavior as a direct itineracy of f electrons; it represents a combined effect of both the hybridization and the correlations induced by the Coulomb repulsive interaction. Such a feature is absent on the level of GA, which is equivalent to the zeroth order of our expansion. Formation of the hybridization- and electron-concentration-dependent narrow f band rationalizes the common assumption of such dispersion of f levels in the phenomenological modeling of the band structure of CeCoIn5. Moreover, it is shown that the emerging f -electron direct itineracy leads in a natural manner to three physically distinct regimes within a single model that are frequently discussed for 4 f - or 5 f -electron compounds as separate model situations. We identify these regimes as (i) the mixed-valence regime, (ii) Kondo/almost-Kondo insulating regime, and (iii) the Kondo-lattice limit when the f -electron occupancy is very close to the f -state half filling, →1 . The nonstandard features of the emerging correlated quantum liquid state are stressed.

Clustering P-Wave Receiver Functions To Constrain Subsurface Seismic Structure

NASA Astrophysics Data System (ADS)

Chai, C.; Larmat, C. S.; Maceira, M.; Ammon, C. J.; He, R.; Zhang, H.

2017-12-01

The acquisition of high-quality data from permanent and temporary dense seismic networks provides the opportunity to apply statistical and machine learning techniques to a broad range of geophysical observations. Lekic and Romanowicz (2011) used clustering analysis on tomographic velocity models of the western United States to perform tectonic regionalization and the velocity-profile clusters agree well with known geomorphic provinces. A complementary and somewhat less restrictive approach is to apply cluster analysis directly to geophysical observations. In this presentation, we apply clustering analysis to teleseismic P-wave receiver functions (RFs) continuing efforts of Larmat et al. (2015) and Maceira et al. (2015). These earlier studies validated the approach with surface waves and stacked EARS RFs from the USArray stations. In this study, we experiment with both the K-means and hierarchical clustering algorithms. We also test different distance metrics defined in the vector space of RFs following Lekic and Romanowicz (2011). We cluster data from two distinct data sets. The first, corresponding to the western US, was by smoothing/interpolation of receiver-function wavefield (Chai et al. 2015). Spatial coherence and agreement with geologic region increase with this simpler, spatially smoothed set of observations. The second data set is composed of RFs for more than 800 stations of the China Digital Seismic Network (CSN). Preliminary results show a first order agreement between clusters and tectonic region and each region cluster includes a distinct Ps arrival, which probably reflects differences in crustal thickness. Regionalization remains an important step to characterize a model prior to application of full waveform and/or stochastic imaging techniques because of the computational expense of these types of studies. Machine learning techniques can provide valuable information that can be used to design and characterize formal geophysical inversion, providing information on spatial variability in the subsurface geology.

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.

Approaching soft X-ray wavelengths in nanomagnet-based microwave technology

PubMed Central

Yu, Haiming; d' Allivy Kelly, O.; Cros, V.; Bernard, R.; Bortolotti, P.; Anane, A.; Brandl, F.; Heimbach, F.; Grundler, D.

2016-01-01

Seven decades after the discovery of collective spin excitations in microwave-irradiated ferromagnets, there has been a rebirth of magnonics. However, magnetic nanodevices will enable smart GHz-to-THz devices at low power consumption only, if such spin waves (magnons) are generated and manipulated on the sub-100 nm scale. Here we show how magnons with a wavelength of a few 10 nm are exploited by combining the functionality of insulating yttrium iron garnet and nanodisks from different ferromagnets. We demonstrate magnonic devices at wavelengths of 88 nm written/read by conventional coplanar waveguides. Our microwave-to-magnon transducers are reconfigurable and thereby provide additional functionalities. The results pave the way for a multi-functional GHz technology with unprecedented miniaturization exploiting nanoscale wavelengths that are otherwise relevant for soft X-rays. Nanomagnonics integrated with broadband microwave circuitry offer applications that are wide ranging, from nanoscale microwave components to nonlinear data processing, image reconstruction and wave-based logic. PMID:27063401

Light-front holographic QCD and emerging confinement

DOE PAGES

Brodsky, Stanley J.; de Téramond, Guy F.; Dosch, Hans Günter; ...

2015-05-21

In this study we explore the remarkable connections between light-front dynamics, its holographic mapping to gravity in a higher-dimensional anti-de Sitter (AdS) space, and conformal quantum mechanics. This approach provides new insights into the origin of a fundamental mass scale and the physics underlying confinement dynamics in QCD in the limit of massless quarks. The result is a relativistic light-front wave equation for arbitrary spin with an effective confinement potential derived from a conformal action and its embedding in AdS space. This equation allows for the computation of essential features of hadron spectra in terms of a single scale. Themore » light-front holographic methods described here give a precise interpretation of holographic variables and quantities in AdS space in terms of light-front variables and quantum numbers. This leads to a relation between the AdS wave functions and the boost-invariant light-front wave functions describing the internal structure of hadronic bound-states in physical spacetime. The pion is massless in the chiral limit and the excitation spectra of relativistic light-quark meson and baryon bound states lie on linear Regge trajectories with identical slopes in the radial and orbital quantum numbers. In the light-front holographic approach described here currents are expressed as an infinite sum of poles, and form factors as a product of poles. At large q 2 the form factor incorporates the correct power-law fall-off for hard scattering independent of the specific dynamics and is dictated by the twist. At low q 2 the form factor leads to vector dominance. The approach is also extended to include small quark masses. We briefly review in this report other holographic approaches to QCD, in particular top-down and bottom-up models based on chiral symmetry breaking. We also include a discussion of open problems and future applications.« less

A real-space stochastic density matrix approach for density functional electronic structure.

PubMed

Beck, Thomas L

2015-12-21

The recent development of real-space grid methods has led to more efficient, accurate, and adaptable approaches for large-scale electrostatics and density functional electronic structure modeling. With the incorporation of multiscale techniques, linear-scaling real-space solvers are possible for density functional problems if localized orbitals are used to represent the Kohn-Sham energy functional. These methods still suffer from high computational and storage overheads, however, due to extensive matrix operations related to the underlying wave function grid representation. In this paper, an alternative stochastic method is outlined that aims to solve directly for the one-electron density matrix in real space. In order to illustrate aspects of the method, model calculations are performed for simple one-dimensional problems that display some features of the more general problem, such as spatial nodes in the density matrix. This orbital-free approach may prove helpful considering a future involving increasingly parallel computing architectures. Its primary advantage is the near-locality of the random walks, allowing for simultaneous updates of the density matrix in different regions of space partitioned across the processors. In addition, it allows for testing and enforcement of the particle number and idempotency constraints through stabilization of a Feynman-Kac functional integral as opposed to the extensive matrix operations in traditional approaches.

Allostatic Load and Health in the Older Population of England: A Crossed-Lagged Analysis

PubMed Central

Read, Sanna; Grundy, Emily

2014-01-01

Objective Allostatic load, a composite measure of accumulated physical wear and tear, has been proposed as an early sign of physiological dysregulation predictive of health problems, functional limitation, and disability. However, much previous research has been cross sectional and few studies consider repeated measures. We investigate the directionality of associations between allostatic load, self-rated health, and a measure of physical function (walking speed). Methods The sample included men and women 60 and older who participated in Wave 2 (2004) and Wave 4 (2008) of the English Longitudinal Study of Ageing (n = 6132 in Wave 2). Allostatic load was measured with nine biomarkers using a multisystem summary approach. Self-rated health was measured using a global 5 point summary indicator. Time to walk 8 ft was used as a measure of function. We fitted and tested autoregressive cross-lagged models between the allostatic load measure, self-rated health, and walking speed in Waves 2 and 4. Models were adjusted for age, sex, educational level, and smoking status at Wave 2 and for time-varying indicators of marital status, wealth, physical activity, and social support. Results Allostatic load predicted slower walking speed (standardized estimate = −0.08, 95% confidence interval [CI] = −0.10 to −0.05). Better self-rated health predicted faster walking speed (standardized estimate = 0.11, 95% CI = 0.08-0.13) as well as lower allostatic load (standardized estimate = −0.15, 95% CI = −0.22 to −0.09), whereas paths from allostatic load and walking speed to self-rated health were weaker (standardized estimates = −0.05 [95% CI = −0.07 to −0.02] and 0.06 [95% CI = 0.04–0.08]). Conclusions Allostatic load can be a useful risk indicator of subsequent poor health or function. PMID:25153937

A Survey of Synoptic Waves over West Africa

NASA Astrophysics Data System (ADS)

Cheng, Yuan-Ming; Thorncroft, Chris D.; Kiladis, George N.

2017-04-01

Motivated by the pronounced wave-to-wave variability in African easterly wave (AEW) circulation, the three-dimensional structure of synoptic waves over West Africa is revisited with an Empirical Orthogonal Function (EOF) approach to isolate the dominant wave pattern. In this talk we present results of EOF analyses conducted with brightness temperature (Tb) derived from satellite observation and meridional wind at multiple levels from reanalysis data to examine the characteristics and variability of synoptic waves. The structure of waves is extracted by projecting the wind fields and Tb onto the principle components associated with EOF patterns of appropriately filtered parameters. The Tb EOF shows a confined AEW circulation centered around 7.5°N and a distinct evolution of convection within the wave in line with previous research. However, in striking contrast to the confined flow pattern in the Tb EOF, the EOF of 700-hPa meridional wind is distinguished by a meridionally broad AEW circulation. While the peak in circulation is centered around 10°N, there is marked cross-equatorial flow that is associated with an antisymmetric geopotential signature across the equator. This suggests the presence of a mixed Rossby-gravity wave (MRG) structure consistent with Matsuno's shallow water theory. Granted that the vast majority of studies on MRGs focus on the central and western Pacific region, this "hybrid" between AEWs and MRGs over West Africa and Atlantic sector has received little attention and more work regarding the nature and causes of its wave structure and behavior is needed. In addition, an upper-level synoptic wave is captured by EOFs of 200-hPa meridional wind. The kinematic fields reveal a continental-scale wave straddling the equator that resembles an MRG. This upper-level MRG appears to develop in situ over the Horn of Africa and intensifies as it moves across the continent. The associated lower-level structure shows an AEW-like circulation but with a larger spatial extent. This finding motivates the need for more in-depth investigations of synoptic wave variability over the region including an assessment of the direction of causality between the upper-level MRG and the lower-level AEW. This study highlights the various synoptic wave structures over West Africa and their interaction with AEWs. The results suggest the variability of AEW activity could be modulated by, in addition to the large-scale environment, other synoptic waves in the region. We will pursue the EOF approach to shed light on the characteristics and causes of the variability in synoptic wave activity over West Africa.

Wigner functions for nonparaxial, arbitrarily polarized electromagnetic wave fields in free space.

PubMed

Alonso, Miguel A

2004-11-01

New representations are defined for describing electromagnetic wave fields in free space exactly in terms of rays for any wavelength, level of coherence or polarization, and numerical aperture, as long as there are no evanescent components. These representations correspond to tensors assigned to each ray such that the electric and magnetic energy densities, the Poynting vector, and the polarization properties of the field correspond to simple integrals involving these tensors for the rays that go through the specified point. For partially coherent fields, the ray-based approach provided by the new representations can reduce dramatically the computation times for the physical properties mentioned earlier.

Letter: Modeling reactive shock waves in heterogeneous solids at the continuum level with stochastic differential equations

NASA Astrophysics Data System (ADS)

Kittell, D. E.; Yarrington, C. D.; Lechman, J. B.; Baer, M. R.

2018-05-01

A new paradigm is introduced for modeling reactive shock waves in heterogeneous solids at the continuum level. Inspired by the probability density function methods from turbulent reactive flows, it is hypothesized that the unreacted material microstructures lead to a distribution of heat release rates from chemical reaction. Fluctuations in heat release, rather than velocity, are coupled to the reactive Euler equations which are then solved via the Riemann problem. A numerically efficient, one-dimensional hydrocode is used to demonstrate this new approach, and simulation results of a representative impact calculation (inert flyer into explosive target) are discussed.

A new wave front shape-based approach for acoustic source localization in an anisotropic plate without knowing its material properties.

PubMed

Sen, Novonil; Kundu, Tribikram

2018-07-01

Estimating the location of an acoustic source in a structure is an important step towards passive structural health monitoring. Techniques for localizing an acoustic source in isotropic structures are well developed in the literature. Development of similar techniques for anisotropic structures, however, has gained attention only in the recent years and has a scope of further improvement. Most of the existing techniques for anisotropic structures either assume a straight line wave propagation path between the source and an ultrasonic sensor or require the material properties to be known. This study considers different shapes of the wave front generated during an acoustic event and develops a methodology to localize the acoustic source in an anisotropic plate from those wave front shapes. An elliptical wave front shape-based technique was developed first, followed by the development of a parametric curve-based technique for non-elliptical wave front shapes. The source coordinates are obtained by minimizing an objective function. The proposed methodology does not assume a straight line wave propagation path and can predict the source location without any knowledge of the elastic properties of the material. A numerical study presented here illustrates how the proposed methodology can accurately estimate the source coordinates. Copyright © 2018 Elsevier B.V. All rights reserved.

Kinematic Characterization of Left Ventricular Chamber Stiffness and Relaxation

NASA Astrophysics Data System (ADS)

Mossahebi, Sina

Heart failure is the most common cause of hospitalization today, and diastolic heart failure accounts for 40-50% of cases. Therefore, it is critical to identify diastolic dysfunction at a subclinical stage so that appropriate therapy can be administered before ventricular function is further, and perhaps irreversibly impaired. Basic concepts in physics such as kinematic modeling provide a unique method with which to characterize cardiovascular physiology, specifically diastolic function (DF). The advantage of an approach that is standard in physics, such as the kinematic modeling is its causal formulation that functions in contrast to correlative approaches traditionally utilized in the life sciences. Our research group has pioneered theoretical and experimental quantitative analysis of DF in humans, using both non-invasive (echocardiography, cardiac MRI) and invasive (simultaneous catheterization-echocardiography) methods. Our group developed and validated the Parametrized Diastolic Filling (PDF) formalism which is motivated by basic physiologic principles (LV is a mechanical suction pump at the mitral valve opening) that obey Newton's Laws. PDF formalism is a kinematic model of filling employing an equation of motion, the solution of which accurately predicts all E-wave contours in accordance with the rules of damped harmonic oscillatory motion. The equation's lumped parameters---ventricular stiffness, ventricular viscoelasticity/relaxation and ventricular load---are obtained by solving the 'inverse problem'. The parameters' physiologic significance and clinical utility have been repeatedly demonstrated in multiple clinical settings. In this work we apply our kinematic modeling approach to better understand how the heart works as it fills in order to advance the relationship between physiology and mathematical modeling. Through the use of this modeling, we thereby define and validate novel, causal indexes of diastolic function such as early rapid filling energy, diastatic stiffness, and relaxation and stiffness components of E-wave deceleration time.

Irregular wave functions of a hydrogen atom in a uniform magnetic field

NASA Technical Reports Server (NTRS)

Wintgen, D.; Hoenig, A.

1989-01-01

The highly excited irregular wave functions of a hydrogen atom in a uniform magnetic field are investigated analytically, with wave function scarring by periodic orbits considered quantitatively. The results obtained confirm that the contributions of closed classical orbits to the spatial wave functions vanish in the semiclassical limit. Their disappearance, however, is slow. This discussion is illustrated by numerical examples.

Alfvén Wave Reflection and Turbulent Heating in the Solar Wind from 1 Solar Radius to 1 AU: An Analytical Treatment

NASA Astrophysics Data System (ADS)

Chandran, Benjamin D. G.; Hollweg, Joseph V.

2009-12-01

We study the propagation, reflection, and turbulent dissipation of Alfvén waves in coronal holes and the solar wind. We start with the Heinemann-Olbert equations, which describe non-compressive magnetohydrodynamic fluctuations in an inhomogeneous medium with a background flow parallel to the background magnetic field. Following the approach of Dmitruk et al., we model the nonlinear terms in these equations using a simple phenomenology for the cascade and dissipation of wave energy and assume that there is much more energy in waves propagating away from the Sun than waves propagating toward the Sun. We then solve the equations analytically for waves with periods of hours and longer to obtain expressions for the wave amplitudes and turbulent heating rate as a function of heliocentric distance. We also develop a second approximate model that includes waves with periods of roughly one minute to one hour, which undergo less reflection than the longer-period waves, and compare our models to observations. Our models generalize the phenomenological model of Dmitruk et al. by accounting for the solar wind velocity, so that the turbulent heating rate can be evaluated from the coronal base out past the Alfvén critical point—that is, throughout the region in which most of the heating and acceleration occurs. The simple analytical expressions that we obtain can be used to incorporate Alfvén-wave reflection and turbulent heating into fluid models of the solar wind.

An exact solution for effects of topography on free Rayleigh waves

USGS Publications Warehouse

Savage, W.Z.

2004-01-01

An exact solution for the effects of topography on Rayleigh wave amplification is presented. The solution is obtained by incorporating conformal mapping into complex-variable stress functions developed for free Rayleigh wave propagation in an elastic half-space with a flat upper surface. Results are presented for free Rayleigh wave propagation across isolated symmetric ridges and valleys. It is found for wavelengths that are comparable to ridge widths that horizontal Rayleigh wave amplitudes are amplified at ridge crests and that vertical amplitudes are strongly reduced near ridge crests relative to horizontal and vertical amplitudes of free Rayleigh waves in the flat case. Horizontal amplitudes are strongly deamplified at valley bottoms relative to those for the flat case for Rayleigh wavelengths comparable to valley widths. Wave amplitudes in the symmetric ridges and valleys asymptotically approach those for the flat case with increased wavelengths, increased ridge and valley widths, and with horizontal distance from and depth below the isolated ridges and valleys. Also, prograde particle motion is predicted near crests of narrow ridges and near the bottoms of narrow valleys. Finally, application of the theory at two sites known for topographic wave amplification gives a predicted surface wave amplification ratio of 3.80 at the ridge center for a frequency of 1.0 Hz at Robinwood Ridge in northern California and a predicted surface wave amplification ratio of 1.67 at the ridge center for the same frequency at the Cedar Hill Nursery site at Tarzana in southern California.

Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wave Functions of Open-Shell Molecules.

PubMed

Sugisaki, Kenji; Yamamoto, Satoru; Nakazawa, Shigeaki; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji

2016-08-18

Quantum computers are capable to efficiently perform full configuration interaction (FCI) calculations of atoms and molecules by using the quantum phase estimation (QPE) algorithm. Because the success probability of the QPE depends on the overlap between approximate and exact wave functions, efficient methods to prepare accurate initial guess wave functions enough to have sufficiently large overlap with the exact ones are highly desired. Here, we propose a quantum algorithm to construct the wave function consisting of one configuration state function, which is suitable for the initial guess wave function in QPE-based FCI calculations of open-shell molecules, based on the addition theorem of angular momentum. The proposed quantum algorithm enables us to prepare the wave function consisting of an exponential number of Slater determinants only by a polynomial number of quantum operations.

Quantization of Chirikov Map and Quantum KAM Theorem.

NASA Astrophysics Data System (ADS)

Shi, Kang-Jie

KAM theorem is one of the most important theorems in classical nonlinear dynamics and chaos. To extend KAM theorem to the regime of quantum mechanics, we first study the quantum Chirikov map, whose classical counterpart provides a good example of KAM theorem. Under resonance condition 2pihbar = 1/N, we obtain the eigenstates of the evolution operator of this system. We find that the wave functions in the coherent state representation (CSR) are very similar to the classical trajectories. In particular, some of these wave functions have wall-like structure at the locations of classical KAM curves. We also find that a local average is necessary for a Wigner function to approach its classical limit in the phase space. We then study the general problem theoretically. Under similar conditions for establishing the classical KAM theorem, we obtain a quantum extension of KAM theorem. By constructing successive unitary transformations, we can greatly reduce the perturbation part of a near-integrable Hamiltonian system in a region associated with a Diophantine number {rm W}_{o}. This reduction is restricted only by the magnitude of hbar.. We can summarize our results as follows: In the CSR of a nearly integrable quantum system, associated with a Diophantine number {rm W}_ {o}, there is a band near the corresponding KAM torus of the classical limit of the system. In this band, a Gaussian wave packet moves quasi-periodically (and remain close to the KAM torus) for a long time, with possible diffusion in both the size and the shape of its wave packet. The upper bound of the tunnelling rate out of this band for the wave packet can be made much smaller than any given power of hbar, if the original perturbation is sufficiently small (but independent of hbar). When hbarto 0, we reproduce the classical KAM theorem. For most near-integrable systems the eigenstate wave function in the above band can either have a wall -like structure or have a vanishing amplitude. These conclusions agree with the numerical results of the quantum Chirikov map.

Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: theory and test calculations of second order approximation.

PubMed

Chen, Zhenhua; Hoffmann, Mark R

2012-07-07

A unitary wave operator, exp (G), G(+) = -G, is considered to transform a multiconfigurational reference wave function Φ to the potentially exact, within basis set limit, wave function Ψ = exp (G)Φ. To obtain a useful approximation, the Hausdorff expansion of the similarity transformed effective Hamiltonian, exp (-G)Hexp (G), is truncated at second order and the excitation manifold is limited; an additional separate perturbation approximation can also be made. In the perturbation approximation, which we refer to as multireference unitary second-order perturbation theory (MRUPT2), the Hamiltonian operator in the highest order commutator is approximated by a Mo̸ller-Plesset-type one-body zero-order Hamiltonian. If a complete active space self-consistent field wave function is used as reference, then the energy is invariant under orbital rotations within the inactive, active, and virtual orbital subspaces for both the second-order unitary coupled cluster method and its perturbative approximation. Furthermore, the redundancies of the excitation operators are addressed in a novel way, which is potentially more efficient compared to the usual full diagonalization of the metric of the excited configurations. Despite the loss of rigorous size-extensivity possibly due to the use of a variational approach rather than a projective one in the solution of the amplitudes, test calculations show that the size-extensivity errors are very small. Compared to other internally contracted multireference perturbation theories, MRUPT2 only needs reduced density matrices up to three-body even with a non-complete active space reference wave function when two-body excitations within the active orbital subspace are involved in the wave operator, exp (G). Both the coupled cluster and perturbation theory variants are amenable to large, incomplete model spaces. Applications to some widely studied model systems that can be problematic because of geometry dependent quasidegeneracy, H4, P4, and BeH(2), are performed in order to test the new methods on problems where full configuration interaction results are available.

A random wave model for the Aharonov-Bohm effect

NASA Astrophysics Data System (ADS)

Houston, Alexander J. H.; Gradhand, Martin; Dennis, Mark R.

2017-05-01

We study an ensemble of random waves subject to the Aharonov-Bohm effect. The introduction of a point with a magnetic flux of arbitrary strength into a random wave ensemble gives a family of wavefunctions whose distribution of vortices (complex zeros) is responsible for the topological phase associated with the Aharonov-Bohm effect. Analytical expressions are found for the vortex number and topological charge densities as functions of distance from the flux point. Comparison is made with the distribution of vortices in the isotropic random wave model. The results indicate that as the flux approaches half-integer values, a vortex with the same sign as the fractional part of the flux is attracted to the flux point, merging with it in the limit of half-integer flux. We construct a statistical model of the neighbourhood of the flux point to study how this vortex-flux merger occurs in more detail. Other features of the Aharonov-Bohm vortex distribution are also explored.

Metasurface for multi-channel terahertz beam splitters and polarization rotators

NASA Astrophysics Data System (ADS)

Zang, XiaoFei; Gong, HanHong; Li, Zhen; Xie, JingYa; Cheng, QingQing; Chen, Lin; Shkurinov, Alexander P.; Zhu, YiMing; Zhuang, SongLin

2018-04-01

Terahertz beam splitters and polarization rotators are two typical devices with wide applications ranging from terahertz communication to system integration. However, they are faced with severe challenges in manipulating THz waves in multiple channels, which is desirable for system integration and device miniaturization. Here, we propose a method to design ultra-thin multi-channel THz beam splitters and polarization rotators simultaneously. The reflected beams are divided into four beams with nearly the same density under illumination of linear-polarized THz waves, while the polarization of reflected beams in each channel is modulated with a rotation angle or invariable with respect to the incident THz waves, leading to the multi-channel polarization rotator (multiple polarization rotation in the reflective channels) and beam splitter, respectively. Reflective metasurfaces, created by patterning metal-rods with different orientations on a polyimide film, were fabricated and measured to demonstrate these characteristics. The proposed approach provides an efficient way of controlling polarization of THz waves in various channels, which significantly simplifies THz functional devices and the experimental system.

Quantitative Modeling of Coupled Piezo-Elastodynamic Behavior of Piezoelectric Actuators Bonded to an Elastic Medium for Structural Health Monitoring: A Review

PubMed Central

Huang, Guoliang; Song, Fei; Wang, Xiaodong

2010-01-01

Elastic waves, especially guided waves, generated by a piezoelectric actuator/sensor network, have shown great potential for on-line health monitoring of advanced aerospace, nuclear, and automotive structures in recent decades. Piezoelectric materials can function as both actuators and sensors in these applications due to wide bandwidth, quick response and low costs. One of the most fundamental issues surrounding the effective use of piezoelectric actuators is the quantitative evaluation of the resulting elastic wave propagation by considering the coupled piezo-elastodynamic behavior between the actuator and the host medium. Accurate characterization of the local interfacial stress distribution between the actuator and the host medium is the key issue for the problem. This paper presents a review of the development of analytical, numerical and hybrid approaches for modeling of the coupled piezo-elastodynamic behavior. The resulting elastic wave propagation for structural health monitoring is also summarized. PMID:22319319

Parallel implementation of geometrical shock dynamics for two dimensional converging shock waves

NASA Astrophysics Data System (ADS)

Qiu, Shi; Liu, Kuang; Eliasson, Veronica

2016-10-01

Geometrical shock dynamics (GSD) theory is an appealing method to predict the shock motion in the sense that it is more computationally efficient than solving the traditional Euler equations, especially for converging shock waves. However, to solve and optimize large scale configurations, the main bottleneck is the computational cost. Among the existing numerical GSD schemes, there is only one that has been implemented on parallel computers, with the purpose to analyze detonation waves. To extend the computational advantage of the GSD theory to more general applications such as converging shock waves, a numerical implementation using a spatial decomposition method has been coupled with a front tracking approach on parallel computers. In addition, an efficient tridiagonal system solver for massively parallel computers has been applied to resolve the most expensive function in this implementation, resulting in an efficiency of 0.93 while using 32 HPCC cores. Moreover, symmetric boundary conditions have been developed to further reduce the computational cost, achieving a speedup of 19.26 for a 12-sided polygonal converging shock.

An ultrathin terahertz quarter-wave plate using planar babinet-inverted metasurface.

PubMed

Wang, Dacheng; Gu, Yinghong; Gong, Yandong; Qiu, Cheng-Wei; Hong, Minghui

2015-05-04

Metamaterials promise an exotic approach to artificially manipulate the polarization state of electromagnetic waves and boost the design of polarimetric devices for sensitive detection, imaging and wireless communication. Here, we present the design and experimental demonstration of an ultrathin (0.29λ) terahertz quarter-wave plate based on planar babinet-inverted metasurface. The quarter-wave plate consisting of arrays of asymmetric cross apertures reveals a high transmission of 0.545 with 90 degrees phase delay at 0.870 THz. The calculated ellipticity indicates a high degree of polarization conversion from linear to circular polarization. With respect to different incident polarization angles, left-handed circular polarized light, right-handed circular polarized light and elliptically polarized light can be created by this novel design. An analytical model is applied to describe transmitted amplitude, phase delay and ellipticitiy, which are in good agreement with the measured and simulated results. The planar babinet-inverted metasurface with the analytical model opens up avenues for new functional terahertz devices design.

Wave-induced bedload transport - a study of the southern Baltic coastal zone

NASA Astrophysics Data System (ADS)

Dudkowska, Aleksandra; Gic-Grusza, Gabriela

2017-03-01

The wave-induced bedload transport and spatial distribution of its magnitude in the southern Baltic coastal zone of Poland are estimated. The vicinity of Lubiatowo was selected as a representative part of the Polish coast. It was assumed that transport is a function of shear stress; alternative approaches, based on force balances and discharge relationships, were not considered in the present study. Four models were studied and compared over a wide range of bottom shear stress and wind-wave conditions. The set of models comprises classic theories that assume a simplified influence of turbulence on sediment transport (e.g., advocated by authors such as Du Boys, Meyer-Peter and Müller, Ribberink, Engelund and Hansen). It is shown that these models allow to estimate transport comparable to measured values under similar environmental conditions. A united general model for bedload transport is proposed, and a set of maps of wave bedload transport for various wind conditions in the study area is presented.

Quantitative assessment of cervical softening during pregnancy in the Rhesus macaque with shear wave elasticity imaging

NASA Astrophysics Data System (ADS)

Rosado-Mendez, Ivan M.; Carlson, Lindsey C.; Woo, Kaitlin M.; Santoso, Andrew P.; Guerrero, Quinton W.; Palmeri, Mark L.; Feltovich, Helen; Hall, Timothy J.

2018-04-01

Abnormal parturition, e.g. pre- or post-term birth, is associated with maternal and neonatal morbidity and increased economic burden. This could potentially be prevented by accurate detection of abnormal softening of the uterine cervix. Shear wave elasticity imaging (SWEI) techniques that quantify tissue softness, such as shear wave speed (SWS) measurement, are promising for evaluation of the cervix. Still, interpretation of results can be complicated by biological variability (i.e. spatial variations of cervix stiffness, parity), as well as by experimental factors (i.e. type of transducer, posture during scanning). Here we investigated the ability of SWEI to detect cervical softening, as well as sources of SWS variability that can affect this task, in the pregnant and nonpregnant Rhesus macaque. Specifically, we evaluated SWS differences when imaging the cervix transabdominally with a typical linear array abdominal transducer, and transrectally with a prototype intracavitary linear array transducer. Linear mixed effects (LME) models were used to model SWS as a function of menstrual cycle day (in nonpregnant animals) and gestational age (in pregnant animals). Other variables included parity, shear wave direction, and cervix side (anterior versus posterior). In the nonpregnant cervix, the LME model indicated that SWS increased by 2% (95% confidence interval 0–3%) per day, starting eight days before menstruation. During pregnancy, SWS significantly decreased at a rate of 6% (95% CI 5–7%) per week (intracavitary approach) and 3% (95% CI 2–4%) per week (transabdominal approach), and interactions between the scanning approach and other fixed effects were also significant. These results suggest that, while absolute SWS values are influenced by factors such as scanning approach and SWEI implementation, these sources of variability do not compromise the sensitivity of SWEI to cervical softening. Our results also highlight the importance of standardizing SWEI approaches to improve their accuracy for cervical assessment.

Evans function computation for the stability of travelling waves

NASA Astrophysics Data System (ADS)

Barker, B.; Humpherys, J.; Lyng, G.; Lytle, J.

2018-04-01

In recent years, the Evans function has become an important tool for the determination of stability of travelling waves. This function, a Wronskian of decaying solutions of the eigenvalue equation, is useful both analytically and computationally for the spectral analysis of the linearized operator about the wave. In particular, Evans-function computation allows one to locate any unstable eigenvalues of the linear operator (if they exist); this allows one to establish spectral stability of a given wave and identify bifurcation points (loss of stability) as model parameters vary. In this paper, we review computational aspects of the Evans function and apply it to multidimensional detonation waves. This article is part of the theme issue `Stability of nonlinear waves and patterns and related topics'.

On the convergence of the coupled-wave approach for lamellar diffraction gratings

NASA Technical Reports Server (NTRS)

Li, Lifeng; Haggans, Charles W.

1992-01-01

Among the many existing rigorous methods for analyzing diffraction of electromagnetic waves by diffraction gratings, the coupled-wave approach stands out because of its versatility and simplicity. It can be applied to volume gratings and surface relief gratings, and its numerical implementation is much simpler than others. In addition, its predictions were experimentally validated in several cases. These facts explain the popularity of the coupled-wave approach among many optical engineers in the field of diffractive optics. However, a comprehensive analysis of the convergence of the model predictions has never been presented, although several authors have recently reported convergence difficulties with the model when it is used for metallic gratings in TM polarization. Herein, three points are made: (1) in the TM case, the coupled-wave approach converges much slower than the modal approach of Botten et al; (2) the slow convergence is caused by the use of Fourier expansions for the permittivity and the fields in the grating region; and (3) is manifested by the slow convergence of the eigenvalues and the associated modal fields. The reader is assumed to be familiar with the mathematical formulations of the coupled-wave approach and the modal approach.

Classical electromagnetic fields from quantum sources in heavy-ion collisions

NASA Astrophysics Data System (ADS)

Holliday, Robert; McCarty, Ryan; Peroutka, Balthazar; Tuchin, Kirill

2017-01-01

Electromagnetic fields are generated in high energy nuclear collisions by spectator valence protons. These fields are traditionally computed by integrating the Maxwell equations with point sources. One might expect that such an approach is valid at distances much larger than the proton size and thus such a classical approach should work well for almost the entire interaction region in the case of heavy nuclei. We argue that, in fact, the contrary is true: due to the quantum diffusion of the proton wave function, the classical approximation breaks down at distances of the order of the system size. We compute the electromagnetic field created by a charged particle described initially as a Gaussian wave packet of width 1 fm and evolving in vacuum according to the Klein-Gordon equation. We completely neglect the medium effects. We show that the dynamics, magnitude and even sign of the electromagnetic field created by classical and quantum sources are different.

How extreme are extremes?

NASA Astrophysics Data System (ADS)

Cucchi, Marco; Petitta, Marcello; Calmanti, Sandro

2016-04-01

High temperatures have an impact on the energy balance of any living organism and on the operational capabilities of critical infrastructures. Heat-wave indicators have been mainly developed with the aim of capturing the potential impacts on specific sectors (agriculture, health, wildfires, transport, power generation and distribution). However, the ability to capture the occurrence of extreme temperature events is an essential property of a multi-hazard extreme climate indicator. Aim of this study is to develop a standardized heat-wave indicator, that can be combined with other indices in order to describe multiple hazards in a single indicator. The proposed approach can be used in order to have a quantified indicator of the strenght of a certain extreme. As a matter of fact, extremes are usually distributed in exponential or exponential-exponential functions and it is difficult to quickly asses how strong was an extreme events considering only its magnitude. The proposed approach simplify the quantitative and qualitative communication of extreme magnitude

A Gaussian Wave Packet Propagation Approach to Vibrationally Resolved Optical Spectra at Non-Zero Temperatures.

PubMed

Reddy, Ch Sridhar; Prasad, M Durga

2016-04-28

An effective time dependent approach based on a method that is similar to the Gaussian wave packet propagation (GWP) technique of Heller is developed for the computation of vibrationally resolved electronic spectra at finite temperatures in the harmonic, Franck-Condon/Hertzberg-Teller approximations. Since the vibrational thermal density matrix of the ground electronic surface and the time evolution operator on that surface commute, it is possible to write the spectrum generating correlation function as a trace of the time evolved doorway state. In the stated approximations, the doorway state is a superposition of the harmonic oscillator zero and one quantum eigenfunctions and thus can be propagated by the GWP. The algorithm has an O(N(3)) dependence on the number of vibrational modes. An application to pyrene absorption spectrum at two temperatures is presented as a proof of the concept.

Implications of a-priori constraints in transdimensional Bayesian inversion for continental lithospheric layering

NASA Astrophysics Data System (ADS)

Roy, Corinna; Calo, Marco; Bodin, Thomas; Romanowicz, Barbara

2017-04-01

Competing hypotheses for the formation and evolution of continents are highly under debate, including the theory of underplating by hot plumes or accretion by shallow subduction in continental or arc settings. In order to support these hypotheses, documenting structural layering in the cratonic lithosphere becomes especially important. Studies of seismic-wave receiver function data have detected a structural boundary under continental cratons at 100-140 km depths, which is too shallow to be consistent with the lithosphere-asthenosphere boundary, as inferred from seismic tomography and other geophysical studies. This leads to the conclusion that 1) the cratonic lithosphere may be thinner than expected, contradicting tomographic and other geophysical or geochemical inferences, or 2) that the receiver function studies detect a mid-lithospheric discontinuity rather than the LAB. Recent studies (Bodin et al., 2015, Calò et al. 2016) confirmed the presence of a structural boundary under the North American craton at 100-140 km depths by taking advantage of the power of a trans-dimensional Monte Carlo Markov chain (TMCMC). They generated probabilistic 1D radially shear wave velocity profiles for selected stations in North America by jointly inverting 2 different data types (PS Receiver Functions, surface wave dispersion for Love and Rayleigh waves), which sample different volumes of the Earth and have different sensitivities to 
structure. In fact, they found at least one, and in some cases several additional mid-lithospheric discontinuities (MLD) at intermediate depths in the stable part of the craton. Such discontinuities are not present in the active western part of the US. However, in their Bayesian approach, they made two major assumptions: First, they fixed the Vp/Vs ratio to a constant, averaged value for crust and mantle. Second, they added constraints on the crustal discontinuity depths in the prior distribution of the shear wave velocity. Given these strong assumptions, the question came up whether the observed MLDs are real features or only artifacts resulting from these assumptions, in spite of the fact that the Ps converted phase constraints are included using a waveform cross-convolution approach, which should be able to handle crustal multiples, in contrast to a standard RF inversion. We investigated these concerns by including the Vp/Vs ratio as a random variable in the Bayesian approach. By performing simulations on synthetic Earth models, we can demonstrate that a variable/fixed Vp/Vs ratio has little effect on posterior distribution of VSV, but that the imposed constraints can introduce artificial layers in depth. Nevertheless, we can confirm the overall structure found by Calò et al. 2016. Here, we also include SKS waveforms in the joint inversion and invert for azimuthal anisotropy to verify if layering in the anisotropic structure of the stable part of the North American continent is marked by significant changes in the direction of azimuthal anisotropy as found by Yuan and Romanowicz (2010). We recently demonstrated the power of this approach in the case of two stations located in different tectonic settings (Bodin et al., 2016). Here we extend this approach to a broader range of settings within the North American continent.

Asymptotic Solutions for Optical Properties of Large Particles with Strong Absorption

NASA Technical Reports Server (NTRS)

Yang, Ping; Gao, Bo-Cai; Baum, Bryan A.; Hu, Yong X.; Wiscombe, Warren J.; Mishchenko, Michael I.; Winker, Dave M.; Nasiri, Shaima L.; Einaudi, Franco (Technical Monitor)

2000-01-01

For scattering calculations involving nonspherical particles such as ice crystals, we show that the transverse wave condition is not applicable to the refracted electromagnetic wave in the context of geometric optics when absorption is involved. Either the TM wave condition (i.e., where the magnetic field of the refracted wave is transverse with respect to the wave direction) or the TE wave condition (i.e., where the electric field is transverse with respect to the propagating direction of the wave) may be assumed for the refracted wave in an absorbing medium to locally satisfy the electromagnetic boundary condition in the ray tracing calculation. The wave mode assumed for the refracted wave affects both the reflection and refraction coefficients. As a result, a nonunique solution for these coefficients is derived from the electromagnetic boundary condition. In this study we have identified the appropriate solution for the Fresnel reflection/refraction coefficients in light scattering calculation based on the ray tracing technique. We present the 3 x 2 refraction or transmission matrix that completely accounts for the inhomogeneity of the refracted wave in an absorbing medium. Using the Fresnel coefficients for an absorbing medium, we derive an asymptotic solution in an analytical format for the scattering properties of a general polyhedral particle. Numerical results are presented for hexagonal plates and columns with both preferred and random orientations. The asymptotic theory can produce reasonable accuracy in the phase function calculations in the infrared window region (wavelengths near 10 micron) if the particle size (in diameter) is on the order of 40 micron or larger. However, since strong absorption is assumed in the computation of the single-scattering albedo in the asymptotic theory, the single scattering albedo does not change with variation of the particle size. As a result, the asymptotic theory can lead to substantial errors in the computation of single-scattering albedo for small and moderate particle sizes. However, from comparison of the asymptotic results with the FDTD solution, it is expected that a convergence between the FDTD results and the asymptotic theory results can be reached when the particle size approaches 200 micron. We show that the phase function at side-scattering and backscattering angles is insensitive to particle shape if the random orientation condition is assumed. However, if preferred orientations are assumed for particles, the phase function has a strong dependence on scattering azimuthal angle. The single-scattering albedo also shows very strong dependence on the inclination angle of incident radiation with respect to the rotating axis for the preferred particle orientations.

Modelling multi-hazard hurricane damages on an urbanized coast with a Bayesian Network approach

USGS Publications Warehouse

van Verseveld, H.C.W.; Van Dongeren, A. R.; Plant, Nathaniel G.; Jäger, W.S.; den Heijer, C.

2015-01-01

Hurricane flood impacts to residential buildings in coastal zones are caused by a number of hazards, such as inundation, overflow currents, erosion, and wave attack. However, traditional hurricane damage models typically make use of stage-damage functions, where the stage is related to flooding depth only. Moreover, these models are deterministic and do not consider the large amount of uncertainty associated with both the processes themselves and with the predictions. This uncertainty becomes increasingly important when multiple hazards (flooding, wave attack, erosion, etc.) are considered simultaneously. This paper focusses on establishing relationships between observed damage and multiple hazard indicators in order to make better probabilistic predictions. The concept consists of (1) determining Local Hazard Indicators (LHIs) from a hindcasted storm with use of a nearshore morphodynamic model, XBeach, and (2) coupling these LHIs and building characteristics to the observed damages. We chose a Bayesian Network approach in order to make this coupling and used the LHIs ‘Inundation depth’, ‘Flow velocity’, ‘Wave attack’, and ‘Scour depth’ to represent flooding, current, wave impacts, and erosion related hazards.The coupled hazard model was tested against four thousand damage observations from a case site at the Rockaway Peninsula, NY, that was impacted by Hurricane Sandy in late October, 2012. The model was able to accurately distinguish ‘Minor damage’ from all other outcomes 95% of the time and could distinguish areas that were affected by the storm, but not severely damaged, 68% of the time. For the most heavily damaged buildings (‘Major Damage’ and ‘Destroyed’), projections of the expected damage underestimated the observed damage. The model demonstrated that including multiple hazards doubled the prediction skill, with Log-Likelihood Ratio test (a measure of improved accuracy and reduction in uncertainty) scores between 0.02 and 0.17 when only one hazard is considered and a score of 0.37 when multiple hazards are considered simultaneously. The LHIs with the most predictive skill were ‘Inundation depth’ and ‘Wave attack’. The Bayesian Network approach has several advantages over the market-standard stage-damage functions: the predictive capacity of multiple indicators can be combined; probabilistic predictions can be obtained, which include uncertainty; and quantitative as well as descriptive information can be used simultaneously.

A statistical kinematic source inversion approach based on the QUESO library for uncertainty quantification and prediction

NASA Astrophysics Data System (ADS)

Zielke, Olaf; McDougall, Damon; Mai, Martin; Babuska, Ivo

2014-05-01

Seismic, often augmented with geodetic data, are frequently used to invert for the spatio-temporal evolution of slip along a rupture plane. The resulting images of the slip evolution for a single event, inferred by different research teams, often vary distinctly, depending on the adopted inversion approach and rupture model parameterization. This observation raises the question, which of the provided kinematic source inversion solutions is most reliable and most robust, and — more generally — how accurate are fault parameterization and solution predictions? These issues are not included in "standard" source inversion approaches. Here, we present a statistical inversion approach to constrain kinematic rupture parameters from teleseismic body waves. The approach is based a) on a forward-modeling scheme that computes synthetic (body-)waves for a given kinematic rupture model, and b) on the QUESO (Quantification of Uncertainty for Estimation, Simulation, and Optimization) library that uses MCMC algorithms and Bayes theorem for sample selection. We present Bayesian inversions for rupture parameters in synthetic earthquakes (i.e. for which the exact rupture history is known) in an attempt to identify the cross-over at which further model discretization (spatial and temporal resolution of the parameter space) is no longer attributed to a decreasing misfit. Identification of this cross-over is of importance as it reveals the resolution power of the studied data set (i.e. teleseismic body waves), enabling one to constrain kinematic earthquake rupture histories of real earthquakes at a resolution that is supported by data. In addition, the Bayesian approach allows for mapping complete posterior probability density functions of the desired kinematic source parameters, thus enabling us to rigorously assess the uncertainties in earthquake source inversions.

Variational model for one-dimensional quantum magnets

NASA Astrophysics Data System (ADS)

Kudasov, Yu. B.; Kozabaranov, R. V.

2018-04-01

A new variational technique for investigation of the ground state and correlation functions in 1D quantum magnets is proposed. A spin Hamiltonian is reduced to a fermionic representation by the Jordan-Wigner transformation. The ground state is described by a new non-local trial wave function, and the total energy is calculated in an analytic form as a function of two variational parameters. This approach is demonstrated with an example of the XXZ-chain of spin-1/2 under a staggered magnetic field. Generalizations and applications of the variational technique for low-dimensional magnetic systems are discussed.

Rhenium-phthalocyanine molecular nanojunction with high magnetic anisotropy and high spin filtering efficiency

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

Li, J.; Institute of Nanomaterial and Nanostructure, Changsha University of Science and Technology, Changsha 410114; Hu, J.

2015-07-20

Using the density functional and non-equilibrium Green's function approaches, we studied the magnetic anisotropy and spin-filtering properties of various transition metal-Phthalocyanine molecular junctions across two Au electrodes. Our important finding is that the Au-RePc-Au junction has both large spin filtering efficiency (>80%) and large magnetic anisotropy energy, which makes it suitable for device applications. To provide insights for the further experimental work, we discussed the correlation between the transport property, magnetic anisotropy, and wave function features of the RePc molecule, and we also illustrated the possibility of controlling its magnetic state.

A scattering approach to sea wave diffraction

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

Corradini, M. L., E-mail: letizia.corradini@unicam.it; Garbuglia, M., E-mail: milena.garbuglia@unicam.it; Maponi, P., E-mail: pierluigi.maponi@unicam.it

This paper intends to show a model for the diffraction of sea waves approaching an OWC device, which converts the sea waves motion into mechanical energy and then electrical energy. This is a preliminary study to the optimisation of the device, in fact the computation of sea waves diffraction around the device allows the estimation of the sea waves energy which enters into the device. The computation of the diffraction phenomenon is the result of a sea waves scattering problem, solved with an integral equation method.

Analysis of bubble plume spacing produced by regular breaking waves

NASA Astrophysics Data System (ADS)

Phaksopa, J.; Haller, M. C.

2012-12-01

The breaking wave process in the ocean is a significant mechanism for energy dissipation, splash, and entrainment of air. The relationship between breaking waves and bubble plume characteristics is still a mystery because of the complexity of the breaking wave mechanism. This study takes a unique approach to quantitatively analyze bubble plumes produced by regular breaking waves. Various previous studies have investigated the formation and the characteristics of bubble plumes using either field observations, laboratory experiments, or numerical modeling However, in most observational work the plume characteristics have been studied from the underneath the water surface. In addition, though numerical simulations are able to include much of the important physics, the computational costs are high and bubble plume events are only simulated for short times. Hence, bubble plume evolution and generation throughout the surf zone is not yet computationally feasible. In the present work we take a unique approach to analyzing bubble plumes. These data may be of use for model/data comparisons as numerical simulations become more tractable. The remotely sensed video data from freshwater breaking waves in the OSU Large Wave Flume (Catalan and Haller, 2008) are analyzed. The data set contains six different regular wave conditions and the video intensity data are used to estimate the spacing of plume events (wavenumber spectrum), to calculate the spectral width (i.e. the range of plume spacing), and to relate these with the wave conditions. The video intensity data capture the evolution of the wave passage over a fixed bed arranged in a bar-trough morphology. Bright regions represent the moving path or trajectory coincident with bubble plume of each wave. It also shows the bubble foam were generated and released from wave crest shown in the form of bubble tails with almost regular spacing for each wave. The bubble tails show that most bubbles did not move along with wave. For the estimation of wavenumber spectrum, the density is high at low wavenumber and it decreases toward high wavenumber. The average spectrum bandwidth was estimated and represented as the bubble event spacing for each run. It is found that its magnitude varies with wave conditions range from 8.81 - 11.82 and is related to the waveheight. Additionally, the calculated wavenumbers from power density function vary in the range of 0.80 - 1.58 meters-1. It is found that the bubble wavenumbers are mostly higher than the wavenumbers calculated from the linear wave theory between 0.2L-0.7L. In other words, the bubble plume length does not exceed the progressive wavelength.

Numerical investigation of nonlinear interactions between multimodal guided waves and delamination in composite structures

NASA Astrophysics Data System (ADS)

Shen, Yanfeng

2017-04-01

This paper presents a numerical investigation of the nonlinear interactions between multimodal guided waves and delamination in composite structures. The elastodynamic wave equations for anisotropic composite laminate were formulated using an explicit Local Interaction Simulation Approach (LISA). The contact dynamics was modeled using the penalty method. In order to capture the stick-slip contact motion, a Coulomb friction law was integrated into the computation procedure. A random gap function was defined for the contact pairs to model distributed initial closures or openings to approximate the nature of rough delamination interfaces. The LISA procedure was coded using the Compute Unified Device Architecture (CUDA), which enables the highly parallelized computation on powerful graphic cards. Several guided wave modes centered at various frequencies were investigated as the incident wave. Numerical case studies of different delamination locations across the thickness were carried out. The capability of different wave modes at various frequencies to trigger the Contact Acoustic Nonlinearity (CAN) was studied. The correlation between the delamination size and the signal nonlinearity was also investigated. Furthermore, the influence from the roughness of the delamination interfaces was discussed as well. The numerical investigation shows that the nonlinear features of wave delamination interactions can enhance the evaluation capability of guided wave Structural Health Monitoring (SHM) system. This paper finishes with discussion, concluding remarks, and suggestions for future work.

The noisy edge of traveling waves

PubMed Central

Hallatschek, Oskar

2011-01-01

Traveling waves are ubiquitous in nature and control the speed of many important dynamical processes, including chemical reactions, epidemic outbreaks, and biological evolution. Despite their fundamental role in complex systems, traveling waves remain elusive because they are often dominated by rare fluctuations in the wave tip, which have defied any rigorous analysis so far. Here, we show that by adjusting nonlinear model details, noisy traveling waves can be solved exactly. The moment equations of these tuned models are closed and have a simple analytical structure resembling the deterministic approximation supplemented by a nonlocal cutoff term. The peculiar form of the cutoff shapes the noisy edge of traveling waves and is critical for the correct prediction of the wave speed and its fluctuations. Our approach is illustrated and benchmarked using the example of fitness waves arising in simple models of microbial evolution, which are highly sensitive to number fluctuations. We demonstrate explicitly how these models can be tuned to account for finite population sizes and determine how quickly populations adapt as a function of population size and mutation rates. More generally, our method is shown to apply to a broad class of models, in which number fluctuations are generated by branching processes. Because of this versatility, the method of model tuning may serve as a promising route toward unraveling universal properties of complex discrete particle systems. PMID:21187435

Running interfacial waves in a two-layer fluid system subject to longitudinal vibrations.

PubMed

Goldobin, D S; Pimenova, A V; Kovalevskaya, K V; Lyubimov, D V; Lyubimova, T P

2015-05-01

We study the waves at the interface between two thin horizontal layers of immiscible fluids subject to high-frequency horizontal vibrations. Previously, the variational principle for energy functional, which can be adopted for treatment of quasistationary states of free interface in fluid dynamical systems subject to vibrations, revealed the existence of standing periodic waves and solitons in this system. However, this approach does not provide regular means for dealing with evolutionary problems: neither stability problems nor ones associated with propagating waves. In this work, we rigorously derive the evolution equations for long waves in the system, which turn out to be identical to the plus (or good) Boussinesq equation. With these equations one can find all the time-independent-profile solitary waves (standing solitons are a specific case of these propagating waves), which exist below the linear instability threshold; the standing and slow solitons are always unstable while fast solitons are stable. Depending on initial perturbations, unstable solitons either grow in an explosive manner, which means layer rupture in a finite time, or falls apart into stable solitons. The results are derived within the long-wave approximation as the linear stability analysis for the flat-interface state [D.V. Lyubimov and A.A. Cherepanov, Fluid Dynamics 21, 849 (1986)] reveals the instabilities of thin layers to be long wavelength.

Longitudinal wave function control in single quantum dots with an applied magnetic field

PubMed Central

Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A.; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

2015-01-01

Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots. PMID:25624018

Longitudinal wave function control in single quantum dots with an applied magnetic field.

PubMed

Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

2015-01-27

Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots.

Wave-function-based approach to quasiparticle bands: Insight into the electronic structure of c-ZnS

NASA Astrophysics Data System (ADS)

Stoyanova, A.; Hozoi, L.; Fulde, P.; Stoll, H.

2011-05-01

Ab initio wave-function-based methods are employed for the study of quasiparticle energy bands of zinc-blende ZnS, with focus on the Zn 3d “semicore” states. The relative energies of these states with respect to the top of the S 3p valence bands appear to be poorly described as compared to experimental values not only within the local density approximation (LDA), but also when many-body corrections within the GW approximation are applied to the LDA or LDA + U mean-field solutions [T. Miyake, P. Zhang, M. L. Cohen, and S. G. Louie, Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.74.245213 74, 245213 (2006)]. In the present study, we show that for the accurate description of the Zn 3d states a correlation treatment based on wave-function methods is needed. Our study rests on a local Hamiltonian approach which rigorously describes the short-range polarization and charge redistribution effects around an extra hole or electron placed into the valence respective conduction bands of semiconductors and insulators. The method also facilitates the computation of electron correlation effects beyond relaxation and polarization. The electron correlation treatment is performed on finite clusters cut off the infinite system. The formalism makes use of localized Wannier functions and embedding potentials derived explicitly from prior periodic Hartree-Fock calculations. The on-site and nearest-neighbor charge relaxation lead to corrections of several eV to the Hartree-Fock band energies and gap. Corrections due to long-range polarization are of the order of 1.0 eV. The dispersion of the Hartree-Fock bands is only slightly affected by electron correlations. We find the Zn 3d “semicore” states to lie ~9.0 eV below the top of the S 3p valence bands, in very good agreement with values from valence-band x-ray photoemission.

Nonlinear Network Description for Many-Body Quantum Systems in Continuous Space

NASA Astrophysics Data System (ADS)

Ruggeri, Michele; Moroni, Saverio; Holzmann, Markus

2018-05-01

We show that the recently introduced iterative backflow wave function can be interpreted as a general neural network in continuum space with nonlinear functions in the hidden units. Using this wave function in variational Monte Carlo simulations of liquid 4He in two and three dimensions, we typically find a tenfold increase in accuracy over currently used wave functions. Furthermore, subsequent stages of the iteration procedure define a set of increasingly good wave functions, each with its own variational energy and variance of the local energy: extrapolation to zero variance gives energies in close agreement with the exact values. For two dimensional 4He, we also show that the iterative backflow wave function can describe both the liquid and the solid phase with the same functional form—a feature shared with the shadow wave function, but now joined by much higher accuracy. We also achieve significant progress for liquid 3He in three dimensions, improving previous variational and fixed-node energies.

About Essence of the Wave Function on Atomic Level and in Superconductors

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

Nikulov, A. V.

The wave function was proposed for description of quantum phenomena on the atomic level. But now it is well known that quantum phenomena are observed not only on atomic level and the wave function is used for description of macroscopic quantum phenomena, such as superconductivity. The essence of the wave function on level elementary particles was and is the subject of heated argument among founders of quantum mechanics and other physicists. This essence seems more clear in superconductor. But impossibility of probabilistic interpretation of wave function in this case results to obvious contradiction of quantum principles with some fundamental principlesmore » of physics.« less

Wave function for time-dependent harmonically confined electrons in a time-dependent electric field.

PubMed

Li, Yu-Qi; Pan, Xiao-Yin; Sahni, Viraht

2013-09-21

The many-body wave function of a system of interacting particles confined by a time-dependent harmonic potential and perturbed by a time-dependent spatially homogeneous electric field is derived via the Feynman path-integral method. The wave function is comprised of a phase factor times the solution to the unperturbed time-dependent Schrödinger equation with the latter being translated by a time-dependent value that satisfies the classical driven equation of motion. The wave function reduces to that of the Harmonic Potential Theorem wave function for the case of the time-independent harmonic confining potential.

Surface Wave Mode Conversion due to Lateral Heterogeneity and its Impact on Waveform Inversions

NASA Astrophysics Data System (ADS)

Datta, A.; Priestley, K. F.; Chapman, C. H.; Roecker, S. W.

2016-12-01

Surface wave tomography based on great circle ray theory has certain limitations which become increasingly significant with increasing frequency. One such limitation is the assumption of different surface wave modes propagating independently from source to receiver, valid only in case of smoothly varying media. In the real Earth, strong lateral gradients can cause significant interconversion among modes, thus potentially wreaking havoc with ray theory based tomographic inversions that make use of multimode information. The issue of mode coupling (with either normal modes or surface wave modes) for accurate modelling and inversion of body wave data has received significant attention in the seismological literature, but its impact on inversion of surface waveforms themselves remains much less understood.We present an empirical study with synthetic data, to investigate this problem with a two-fold approach. In the first part, 2D forward modelling using a new finite difference method that allows modelling a single mode at a time, is used to build a general picture of energy transfer among modes as a function of size, strength and sharpness of lateral heterogeneities. In the second part, we use the example of a multimode waveform inversion technique based on the Cara and Leveque (1987) approach of secondary observables, to invert our synthetic data and assess how mode conversion can affect the process of imaging the Earth. We pay special attention to ensuring that any biases or artefacts in the resulting inversions can be unambiguously attributed to mode conversion effects. This study helps pave the way towards the next generation of (non-numerical) surface wave tomography techniques geared to exploit higher frequencies and mode numbers than are typically used today.

Contribution of ionospheric monitoring to tsunami warning: results from a benchmark exercise

NASA Astrophysics Data System (ADS)

Rolland, L.; Makela, J. J.; Drob, D. P.; Occhipinti, G.; Lognonne, P. H.; Kherani, E. A.; Sladen, A.; Rakoto, V.; Grawe, M.; Meng, X.; Komjathy, A.; Liu, T. J. Y.; Astafyeva, E.; Coisson, P.; Budzien, S. A.

2016-12-01

Deep ocean pressure sensors have proven very effective to quantify tsunami waves in real-time. Yet, the cost of these sensors and maintenance strongly limit the extensive deployment of dense networks. Thus a complete observation of the tsunami wave-field is not possible so far. In the last decade, imprints of moderate to large transpacific tsunami wave-fields have been registered in the ionosphere through the atmospheric internal gravity wave coupled with the tsunami during its propagation. Those ionospheric observations could provide a an additional description of the phenomenon with a high spatial coverage. Ionospheric observations have been supported by numerical modeling of the ocean-atmosphere-ionosphere coupling, developed by different groups. We present here the first results of a cross-validation exercise aimed at testing various forward simulation techniques. In particular, we compare different approaches for modeling tsunami-induced gravity waves including a pseudo-spectral method, finite difference schemes, a fully coupled normal modes modeling approach, a Fourier-Laplace compressible ray-tracing solution, and a self-consistent, three-dimensional physics-based wave perturbation (WP) model based on the augmented Global Thermosphere-Ionosphere Model (WP-GITM). These models and other existing models use either a realistic sea-surface motion input model or a simple analytic model. We discuss the advantages and drawbacks of the different methods and setup common inputs to the models so that meaningful comparisons of model outputs can be made to higlight physical conclusions and understanding. Nominally, we highlight how the different models reproduce or disagree for two study cases: the ionospheric observations related to the 2012 Mw7.7 Haida Gwaii, Canada, and 2015 Mw8.3 Illapel, Chile, events. Ultimately, we explore the possibility of computing a transfer function in order to convert ionospheric perturbations directly into tsunami height estimates.

Spectral representation of the three-body Coulomb problem. I. Nonautoionizing doubly excited states of high angular momentum in helium

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

Eiglsperger, Johannes; Piraux, Bernard; Madronero, Javier

2010-04-15

We investigate high-lying doubly excited nonautoionizing states of helium with total angular momentum L=1,2,...,9 with the help of a configuration interaction approach. We provide highly precise nonrelativistic energies of these states and discuss the properties of the wave functions with respect to the particle exchange operator.

Conditional symmetries in axisymmetric quantum cosmologies with scalar fields and the fate of the classical singularities

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

Zampeli, Adamantia; Pailas, Theodoros; Terzis, Petros A.

2016-05-01

In this paper, the classical and quantum solutions of some axisymmetric cosmologies coupled to a massless scalar field are studied in the context of minisuperspace approximation. In these models, the singular nature of the Lagrangians entails a search for possible conditional symmetries. These have been proven to be the simultaneous conformal symmetries of the supermetric and the superpotential. The quantization is performed by adopting the Dirac proposal for constrained systems, i.e. promoting the first-class constraints to operators annihilating the wave function. To further enrich the approach, we follow [1] and impose the operators related to the classical conditional symmetries onmore » the wave function. These additional equations select particular solutions of the Wheeler-DeWitt equation. In order to gain some physical insight from the quantization of these cosmological systems, we perform a semiclassical analysis following the Bohmian approach to quantum theory. The generic result is that, in all but one model, one can find appropriate ranges of the parameters, so that the emerging semiclassical geometries are non-singular. An attempt for physical interpretation involves the study of the effective energy-momentum tensor which corresponds to an imperfect fluid.« less

Properties of atomic pairs produced in the collision of Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Ziń, Paweł; Wasak, Tomasz

2018-04-01

During a collision of Bose-Einstein condensates correlated pairs of atoms are emitted. The scattered massive particles, in analogy to photon pairs in quantum optics, might be used in the violation of Bell's inequalities, demonstration of Einstein-Podolsky-Rosen correlations, or sub-shot-noise atomic interferometry. Usually, a theoretical description of the collision relies either on stochastic numerical methods or on analytical treatments involving various approximations. Here, we investigate elastic scattering of atoms from colliding elongated Bose-Einstein condensates within the Bogoliubov method, carefully controlling performed approximations at every stage of the analysis. We derive expressions for the one- and two-particle correlation functions. The obtained formulas, which relate the correlation functions to the condensate wave function, are convenient for numerical calculations. We employ the variational approach for condensate wave functions to obtain analytical expressions for the correlation functions, whose properties we analyze in detail. We also present a useful semiclassical model of the process and compare its results with the quantum one. The results are relevant for recent experiments with excited helium atoms, as well as for planned experiments aimed at investigating the nonclassicality of the system.

Exploring correlations in the CGC wave function: Odd azimuthal anisotropy

DOE PAGES

Kovner, Alex; Lublinsky, Michael; Skokov, Vladimir

2017-07-17

In this paper, we extend the color glass condensate (CGC) approach to a calculation of the double inclusive gluon production by including the high density effect in the CGC wave function of the projectile (proton). Our main result is that these effects lead to the appearance of odd harmonics in the two particle correlation C(k,p). We find that in the high momentum limit, |k|, |p| >> Q s, this results in a positive c 1{2}. Additionally when the magnitudes of the two momenta are approximately equal, |k|/|p| ≈ 1, the density effects also generate a positive third harmonic c 3{2},more » which translates into a nonvanishing v 3 when the momenta of the trigger and an associated particle are in the same momentum bin. Finally, the sign of c 3{2} becomes negative when |k|/|p| > 1.1 suggesting an interesting experimental signature.« less

Two-pseudoscalar-meson decay of {chi}{sub cJ} with twist-3 corrections

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

Zhou Mingzhen; Zhou Haiqing; Department of Physics, Southeast University, Nanjing 211189

2009-11-01

The decays of {chi}{sub cJ}{yields}{pi}{sup +}{pi}{sup -}, K{sup +}K{sup -} (J=0,2) are discussed within the standard and modified hard-scattering approach when including the contributions from twist-3 distribution amplitudes and wave functions of the light pseudoscalar meson. A model for twist-2 and twist-3 distribution amplitudes and wave functions of the pion and kaon with BHL prescription are proposed as the solution to the end-point singularities. The results show that the contributions from twist-3 parts are actually not power suppressed comparing with the leading-twist contribution. After including the effects from the transverse momentum of light meson valence-quark state and Sudakov factors, themore » decay widths of the {chi}{sub cJ} into pions or kaons are comparable with the their experimental data.« less

Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach

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

Hyeon-Deuk, Kim, E-mail: kim@kuchem.kyoto-u.ac.jp; Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012; Ando, Koji

2014-05-07

Liquid para-hydrogen (p-H{sub 2}) is a typical quantum liquid which exhibits strong nuclear quantum effects (NQEs) and thus anomalous static and dynamic properties. We propose a real-time simulation method of wave packet (WP) molecular dynamics (MD) based on non-empirical intra- and inter-molecular interactions of non-spherical hydrogen molecules, and apply it to condensed-phase p-H{sub 2}. The NQEs, such as WP delocalization and zero-point energy, are taken into account without perturbative expansion of prepared model potential functions but with explicit interactions between nuclear and electron WPs. The developed MD simulation for 100 ps with 1200 hydrogen molecules is realized at feasible computationalmore » cost, by which basic experimental properties of p-H{sub 2} liquid such as radial distribution functions, self-diffusion coefficients, and shear viscosities are all well reproduced.« less

Automated J wave detection from digital 12-lead electrocardiogram.

PubMed

Wang, Yi Grace; Wu, Hau-Tieng; Daubechies, Ingrid; Li, Yabing; Estes, E Harvey; Soliman, Elsayed Z

2015-01-01

In this report we provide a method for automated detection of J wave, defined as a notch or slur in the descending slope of the terminal positive wave of the QRS complex, using signal processing and functional data analysis techniques. Two different sets of ECG tracings were selected from the EPICARE ECG core laboratory, Wake Forest School of Medicine, Winston Salem, NC. The first set was a training set comprised of 100 ECGs of which 50 ECGs had J-wave and the other 50 did not. The second set was a test set (n=116 ECGs) in which the J-wave status (present/absent) was only known by the ECG Center staff. All ECGs were recorded using GE MAC 1200 (GE Marquette, Milwaukee, Wisconsin) at 10mm/mV calibration, speed of 25mm/s and 500HZ sampling rate. All ECGs were initially inspected visually for technical errors and inadequate quality, and then automatically processed with the GE Marquette 12-SL program 2001 version (GE Marquette, Milwaukee, WI). We excluded ECG tracings with major abnormalities or rhythm disorder. Confirmation of the presence or absence of a J wave was done visually by the ECG Center staff and verified once again by three of the coauthors. There was no disagreement in the identification of the J wave state. The signal processing and functional data analysis techniques applied to the ECGs were conducted at Duke University and the University of Toronto. In the training set, the automated detection had sensitivity of 100% and specificity of 94%. For the test set, sensitivity was 89% and specificity was 86%. In conclusion, test results of the automated method we developed show a good J wave detection accuracy, suggesting possible utility of this approach for defining and detection of other complex ECG waveforms. Copyright © 2015 Elsevier Inc. All rights reserved.

A Problem-Based Approach to Elastic Wave Propagation: The Role of Constraints

ERIC Educational Resources Information Center

Fazio, Claudio; Guastella, Ivan; Tarantino, Giovanni

2009-01-01

A problem-based approach to the teaching of mechanical wave propagation, focused on observation and measurement of wave properties in solids and on modelling of these properties, is presented. In particular, some experimental results, originally aimed at measuring the propagation speed of sound waves in metallic rods, are used in order to deepen…

High-frequency Rayleigh-wave method

USGS Publications Warehouse

Xia, J.; Miller, R.D.; Xu, Y.; Luo, Y.; Chen, C.; Liu, J.; Ivanov, J.; Zeng, C.

2009-01-01

High-frequency (???2 Hz) Rayleigh-wave data acquired with a multichannel recording system have been utilized to determine shear (S)-wave velocities in near-surface geophysics since the early 1980s. This overview article discusses the main research results of high-frequency surface-wave techniques achieved by research groups at the Kansas Geological Survey and China University of Geosciences in the last 15 years. The multichannel analysis of surface wave (MASW) method is a non-invasive acoustic approach to estimate near-surface S-wave velocity. The differences between MASW results and direct borehole measurements are approximately 15% or less and random. Studies show that simultaneous inversion with higher modes and the fundamental mode can increase model resolution and an investigation depth. The other important seismic property, quality factor (Q), can also be estimated with the MASW method by inverting attenuation coefficients of Rayleigh waves. An inverted model (S-wave velocity or Q) obtained using a damped least-squares method can be assessed by an optimal damping vector in a vicinity of the inverted model determined by an objective function, which is the trace of a weighted sum of model-resolution and model-covariance matrices. Current developments include modeling high-frequency Rayleigh-waves in near-surface media, which builds a foundation for shallow seismic or Rayleigh-wave inversion in the time-offset domain; imaging dispersive energy with high resolution in the frequency-velocity domain and possibly with data in an arbitrary acquisition geometry, which opens a door for 3D surface-wave techniques; and successfully separating surface-wave modes, which provides a valuable tool to perform S-wave velocity profiling with high-horizontal resolution. ?? China University of Geosciences (Wuhan) and Springer-Verlag GmbH 2009.

Receiver function HV ratio: a new measurement for reducing non-uniqueness of receiver function waveform inversion

NASA Astrophysics Data System (ADS)

Chong, Jiajun; Chu, Risheng; Ni, Sidao; Meng, Qingjun; Guo, Aizhi

2018-02-01

It is known that a receiver function has relatively weak constraint on absolute seismic wave velocity, and that joint inversion of the receiver function with surface wave dispersion has been widely applied to reduce the trade-off of velocity with interface depth. However, some studies indicate that the receiver function itself is capable for determining the absolute shear-wave velocity. In this study, we propose to measure the receiver function HV ratio which takes advantage of the amplitude information of the receiver function to constrain the shear-wave velocity. Numerical analysis indicates that the receiver function HV ratio is sensitive to the average shear-wave velocity in the depth range it samples, and can help to reduce the non-uniqueness of receiver function waveform inversion. A joint inversion scheme has been developed, and both synthetic tests and real data application proved the feasibility of the joint inversion.

Boundary condition determined wave functions for the ground states of one- and two-electron homonuclear molecules

NASA Astrophysics Data System (ADS)

Patil, S. H.; Tang, K. T.; Toennies, J. P.

1999-10-01

Simple analytical wave functions satisfying appropriate boundary conditions are constructed for the ground states of one-and two-electron homonuclear molecules. Both the asymptotic condition when one electron is far away and the cusp condition when the electron coalesces with a nucleus are satisfied by the proposed wave function. For H2+, the resulting wave function is almost identical to the Guillemin-Zener wave function which is known to give very good energies. For the two electron systems H2 and He2++, the additional electron-electron cusp condition is rigorously accounted for by a simple analytic correlation function which has the correct behavior not only for r12→0 and r12→∞ but also for R→0 and R→∞, where r12 is the interelectronic distance and R, the internuclear distance. Energies obtained from these simple wave functions agree within 2×10-3 a.u. with the results of the most sophisticated variational calculations for all R and for all systems studied. This demonstrates that rather simple physical considerations can be used to derive very accurate wave functions for simple molecules thereby avoiding laborious numerical variational calculations.

Longitudinal direct and indirect pathways linking older sibling competence to the development of younger sibling competence.

PubMed

Brody, Gene H; Kim, Sooyeon; Murry, Velma McBride; Brown, Anita C

2003-05-01

A 4-wave longitudinal model tested direct and indirect links between older sibling (OS; M = 11.7 years) and younger sibling (YS; M = 9.2 years) competence in 152 rural African American families. Data were collected at 1-year intervals. At each wave, different teachers assessed OS competence, YS competence, and YS self-regulation. Mothers reported their own psychological functioning; mothers and YSs reported parenting practices toward the YS. OS competence was stable across time and was linked with positive changes in mothers' psychological functioning from Wave 1 to Wave 2. Mothers' Wave 2 psychological functioning was associated with involved-supportive parenting of the YS at Wave 3. OS Wave 2 competence and Wave 3 parenting were indirectly linked with Wave 4 YS competence, through Wave 3 YS self-regulation. Structural equation modeling controlled for Wave 1 YS competence; thus, the model accounted for change in YS competence across 3 years.

Charge and energy migration in molecular clusters: A stochastic Schrödinger equation approach.

PubMed

Plehn, Thomas; May, Volkhard

2017-01-21

The performance of stochastic Schrödinger equations for simulating dynamic phenomena in large scale open quantum systems is studied. Going beyond small system sizes, commonly used master equation approaches become inadequate. In this regime, wave function based methods profit from their inherent scaling benefit and present a promising tool to study, for example, exciton and charge carrier dynamics in huge and complex molecular structures. In the first part of this work, a strict analytic derivation is presented. It starts with the finite temperature reduced density operator expanded in coherent reservoir states and ends up with two linear stochastic Schrödinger equations. Both equations are valid in the weak and intermediate coupling limit and can be properly related to two existing approaches in literature. In the second part, we focus on the numerical solution of these equations. The main issue is the missing norm conservation of the wave function propagation which may lead to numerical discrepancies. To illustrate this, we simulate the exciton dynamics in the Fenna-Matthews-Olson complex in direct comparison with the data from literature. Subsequently a strategy for the proper computational handling of the linear stochastic Schrödinger equation is exposed particularly with regard to large systems. Here, we study charge carrier transfer kinetics in realistic hybrid organic/inorganic para-sexiphenyl/ZnO systems of different extension.

Charge and energy migration in molecular clusters: A stochastic Schrödinger equation approach

NASA Astrophysics Data System (ADS)

Plehn, Thomas; May, Volkhard

2017-01-01

The performance of stochastic Schrödinger equations for simulating dynamic phenomena in large scale open quantum systems is studied. Going beyond small system sizes, commonly used master equation approaches become inadequate. In this regime, wave function based methods profit from their inherent scaling benefit and present a promising tool to study, for example, exciton and charge carrier dynamics in huge and complex molecular structures. In the first part of this work, a strict analytic derivation is presented. It starts with the finite temperature reduced density operator expanded in coherent reservoir states and ends up with two linear stochastic Schrödinger equations. Both equations are valid in the weak and intermediate coupling limit and can be properly related to two existing approaches in literature. In the second part, we focus on the numerical solution of these equations. The main issue is the missing norm conservation of the wave function propagation which may lead to numerical discrepancies. To illustrate this, we simulate the exciton dynamics in the Fenna-Matthews-Olson complex in direct comparison with the data from literature. Subsequently a strategy for the proper computational handling of the linear stochastic Schrödinger equation is exposed particularly with regard to large systems. Here, we study charge carrier transfer kinetics in realistic hybrid organic/inorganic para-sexiphenyl/ZnO systems of different extension.

Alfvén simple waves

NASA Astrophysics Data System (ADS)

Webb, G. M.; Zank, G. P.; Burrows, R. H.; Ratkiewicz, R. E.

2011-02-01

Multi-dimensional Alfvén simple waves in magnetohydrodynamics (MHD) are investigated using Boillat's formalism. For simple wave solutions, all physical variables (the gas density, pressure, fluid velocity, entropy, and magnetic field induction in the MHD case) depend on a single phase function ϕ, which is a function of the space and time variables. The simple wave ansatz requires that the wave normal and the normal speed of the wave front depend only on the phase function ϕ. This leads to an implicit equation for the phase function and a generalization of the concept of a plane wave. We obtain examples of Alfvén simple waves, based on the right eigenvector solutions for the Alfvén mode. The Alfvén mode solutions have six integrals, namely that the entropy, density, magnetic pressure, and the group velocity (the sum of the Alfvén and fluid velocity) are constant throughout the wave. The eigenequations require that the rate of change of the magnetic induction B with ϕ throughout the wave is perpendicular to both the wave normal n and B. Methods to construct simple wave solutions based on specifying either a solution ansatz for n(ϕ) or B(ϕ) are developed.

Alfven Simple Waves

NASA Astrophysics Data System (ADS)

Webb, G. M.; Zank, G. P.; Burrows, R.

2009-12-01

Multi-dimensional Alfvén simple waves in magnetohydrodynamics (MHD) are investigated using Boillat's formalism. For simple wave solutions, all physical variables (the gas density, pressure, fluid velocity, entropy, and magnetic field induction in the MHD case) depend on a single phase function ǎrphi which is a function of the space and time variables. The simple wave ansatz requires that the wave normal and the normal speed of the wave front depend only on the phase function ǎrphi. This leads to an implicit equation for the phase function, and a generalisation of the concept of a plane wave. We obtain examples of Alfvén simple waves, based on the right eigenvector solutions for the Alfvén mode. The Alfvén mode solutions have six integrals, namely that the entropy, density, magnetic pressure and the group velocity (the sum of the Alfvén and fluid velocity) are constant throughout the wave. The eigen-equations require that the rate of change of the magnetic induction B with ǎrphi throughout the wave is perpendicular to both the wave normal n and B. Methods to construct simple wave solutions based on specifying either a solution ansatz for n(ǎrphi) or B(ǎrphi) are developed.

Determination of elastic moduli from measured acoustic velocities.

PubMed

Brown, J Michael

2018-06-01

Methods are evaluated in solution of the inverse problem associated with determination of elastic moduli for crystals of arbitrary symmetry from elastic wave velocities measured in many crystallographic directions. A package of MATLAB functions provides a robust and flexible environment for analysis of ultrasonic, Brillouin, or Impulsive Stimulated Light Scattering datasets. Three inverse algorithms are considered: the gradient-based methods of Levenberg-Marquardt and Backus-Gilbert, and a non-gradient-based (Nelder-Mead) simplex approach. Several data types are considered: body wave velocities alone, surface wave velocities plus a side constraint on X-ray-diffraction-based axes compressibilities, or joint body and surface wave velocities. The numerical algorithms are validated through comparisons with prior published results and through analysis of synthetic datasets. Although all approaches succeed in finding low-misfit solutions, the Levenberg-Marquardt method consistently demonstrates effectiveness and computational efficiency. However, linearized gradient-based methods, when applied to a strongly non-linear problem, may not adequately converge to the global minimum. The simplex method, while slower, is less susceptible to being trapped in local misfit minima. A "multi-start" strategy (initiate searches from more than one initial guess) provides better assurance that global minima have been located. Numerical estimates of parameter uncertainties based on Monte Carlo simulations are compared to formal uncertainties based on covariance calculations. Copyright © 2018 Elsevier B.V. All rights reserved.

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

Tracy, Eugene R

Quadratic corrections to the metaplectic formulation of mode conversions. In this work we showed how to systematically deal with quadratic corrections beyond the usual linearization of the dispersion matrix at a conversion. The linearization leads to parabolic cylinder functions as the local approximation to the full-wave behavior, but these do not include the variation in amplitude associated with ray refraction in the neighborhood of the conversion. Hence, the region over which they give a good fit to the incoming and outgoing WKB solutions is small. By including higher order corrections it is possible to provide a much more robust matching.more » We also showed that it was possible, in principle, to extend these methods to arbitrary order. A new normal form for mode conversion. This is based upon our earlier NSF-DOE-funded work on ray helicity. We have begun efforts to apply these new ideas in practical ray tracing algorithms. Group theoretical foundation of path integrals and phase space representations of wave problems. Using the symbol theory of N. Zobin, we developed a new understanding of path integrals on phase space. The initial goal was to find practical computational tools for dealing with non-standard mode conversions. Along the way we uncovered a new way to represent wave functions directly on phase space without the intermediary of a Wigner function. We are exploring the use of these ideas for numerical studies of conversion, with the goal of eventually incorporating kinetic effects. Wave packet studies of gyroresonance crossing. In earlier work, Huanchun Ye and Allan Kaufman -- building upon ideas due to Lazar Friedland -- had shown that gyroresonance crossings could be treated as a double conversion. This perspective is one we have used for many of our papers since then. We are now performing a detailed numerical comparison between full-wave and ray tracing approaches in the study of minority-ion gyroresonance crossing. In this study, a fast magnetosonic wave -- supported by a majority-ion species such as deuterium -- crosses the resonance layer associated with a minority species, such as hydrogen. By using wave packets instead of harmonic solutions, it becomes easy to see the evolution in k-space of the minority-ion disturbance, and the time delay for emission of the reflected fast-wave packet. Iterated conversion in a cavity. When mode conversion occurs in a cavity where rays are trapped, multiple conversions will occur and the resulting absorption profile will typically have a complicated spatial dependence due to overlapping interference patterns. The goal of this work is to develop fast and efficient ray-based methods for computing the cavity response to external driving, and to compute the spatial absorption profile. We have introduced a new approach that allows us to visualize in great detail the underlying iterated ray geometry, and should lead to simpler methods for identifying parameter values where global changes occur in the qualitative response (e.g. global bifurcations).« less

Perturbations of the seismic reflectivity of a fluid-saturated depth-dependent poroelastic medium.

PubMed

de Barros, Louis; Dietrich, Michel

2008-03-01

Analytical formulas are derived to compute the first-order effects produced by plane inhomogeneities on the point source seismic response of a fluid-filled stratified porous medium. The derivation is achieved by a perturbation analysis of the poroelastic wave equations in the plane-wave domain using the Born approximation. This approach yields the Frechet derivatives of the P-SV- and SH-wave responses in terms of the Green's functions of the unperturbed medium. The accuracy and stability of the derived operators are checked by comparing, in the time-distance domain, differential seismograms computed from these analytical expressions with complete solutions obtained by introducing discrete perturbations into the model properties. For vertical and horizontal point forces, it is found that the Frechet derivative approach is remarkably accurate for small and localized perturbations of the medium properties which are consistent with the Born approximation requirements. Furthermore, the first-order formulation appears to be stable at all source-receiver offsets. The porosity, consolidation parameter, solid density, and mineral shear modulus emerge as the most sensitive parameters in forward and inverse modeling problems. Finally, the amplitude-versus-angle response of a thin layer shows strong coupling effects between several model parameters.

Extracting surface waves, hum and normal modes: time-scale phase-weighted stack and beyond

NASA Astrophysics Data System (ADS)

Ventosa, Sergi; Schimmel, Martin; Stutzmann, Eleonore

2017-10-01

Stacks of ambient noise correlations are routinely used to extract empirical Green's functions (EGFs) between station pairs. The time-frequency phase-weighted stack (tf-PWS) is a physically intuitive nonlinear denoising method that uses the phase coherence to improve EGF convergence when the performance of conventional linear averaging methods is not sufficient. The high computational cost of a continuous approach to the time-frequency transformation is currently a main limitation in ambient noise studies. We introduce the time-scale phase-weighted stack (ts-PWS) as an alternative extension of the phase-weighted stack that uses complex frames of wavelets to build a time-frequency representation that is much more efficient and fast to compute and that preserve the performance and flexibility of the tf-PWS. In addition, we propose two strategies: the unbiased phase coherence and the two-stage ts-PWS methods to further improve noise attenuation, quality of the extracted signals and convergence speed. We demonstrate that these approaches enable to extract minor- and major-arc Rayleigh waves (up to the sixth Rayleigh wave train) from many years of data from the GEOSCOPE global network. Finally we also show that fundamental spheroidal modes can be extracted from these EGF.

Collision problems treated with the Generalized Hyperspherical Sturmian method

NASA Astrophysics Data System (ADS)

Mitnik, D. M.; Gasaneo, G.; Ancarani, L. U.; Ambrosio, M. J.

2014-04-01

An hyperspherical Sturmian approach recently developed for three-body break-up processes is presented. To test several of its features, the method is applied to two simplified models. Excellent agreement is found when compared with the results of an analytically solvable problem. For the Temkin-Poet model of the double ionization of He by high energy electron impact, the present method is compared with the Spherical Sturmian approach, and again excellent agreement is found. Finally, a study of the channels appearing in the break-up three-body wave function is presented.

Hyperboloidal evolution of test fields in three spatial dimensions

NASA Astrophysics Data System (ADS)

Zenginoǧlu, Anıl; Kidder, Lawrence E.

2010-06-01

We present the numerical implementation of a clean solution to the outer boundary and radiation extraction problems within the 3+1 formalism for hyperbolic partial differential equations on a given background. Our approach is based on compactification at null infinity in hyperboloidal scri fixing coordinates. We report numerical tests for the particular example of a scalar wave equation on Minkowski and Schwarzschild backgrounds. We address issues related to the implementation of the hyperboloidal approach for the Einstein equations, such as nonlinear source functions, matching, and evaluation of formally singular terms at null infinity.

Naked singularities are not singular in distorted gravity

NASA Astrophysics Data System (ADS)

Garattini, Remo; Majumder, Barun

2014-07-01

We compute the Zero Point Energy (ZPE) induced by a naked singularity with the help of a reformulation of the Wheele-DeWitt equation. A variational approach is used for the calculation with Gaussian Trial Wave Functionals. The one loop contribution of the graviton to the ZPE is extracted keeping under control the UltraViolet divergences by means of a distorted gravitational field. Two examples of distortion are taken under consideration: Gravity's Rainbow and Noncommutative Geometry. Surprisingly, we find that the ZPE is no more singular when we approach the singularity.

Two-neutron decay within RMF+BCS approach

NASA Astrophysics Data System (ADS)

Kumawat, M.; Singh, U. K.; Saxena, G.; Kaushik, M.; Jain, S. K.

2018-05-01

A theoretical global study has been done for identifying possible candidates of 2n-radioactivity for all even and odd nuclei under proton number Z ≤ 40 by employing Relativistic Mean-Filed plus BCS (RMF+BCS) approach. We investigate two-and one-neutron separation energy, deformation, pairing energy, wave-function, potential and other ground state properties for our study of even and odd Z nuclei to find candidates of 2n-decay within Z ≤ 40. These results are found in agreement of recent experiments and consistent with other parameters of RMF and other theories.

Auxiliary-field-based trial wave functions in quantum Monte Carlo calculations

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

Chang, Chia -Chen; Rubenstein, Brenda M.; Morales, Miguel A.

2016-12-19

Quantum Monte Carlo (QMC) algorithms have long relied on Jastrow factors to incorporate dynamic correlation into trial wave functions. While Jastrow-type wave functions have been widely employed in real-space algorithms, they have seen limited use in second-quantized QMC methods, particularly in projection methods that involve a stochastic evolution of the wave function in imaginary time. Here we propose a scheme for generating Jastrow-type correlated trial wave functions for auxiliary-field QMC methods. The method is based on decoupling the two-body Jastrow into one-body projectors coupled to auxiliary fields, which then operate on a single determinant to produce a multideterminant trial wavemore » function. We demonstrate that intelligent sampling of the most significant determinants in this expansion can produce compact trial wave functions that reduce errors in the calculated energies. Lastly, our technique may be readily generalized to accommodate a wide range of two-body Jastrow factors and applied to a variety of model and chemical systems.« less

Vlasov simulations of electron acceleration by radio frequency heating near the upper hybrid layer

NASA Astrophysics Data System (ADS)

Najmi, A.; Eliasson, B.; Shao, X.; Milikh, G.; Sharma, A. S.; Papadopoulos, K.

2017-10-01

It is shown by using a combination of Vlasov and test particles simulations that the electron distribution function resulting from energization due to Upper Hybrid (UH) plasma turbulence depends critically on the closeness of the pump wave to the double resonance, defined as ω ≈ ωUH ≈ nωce, where n is an integer. For pump frequencies, away from the double resonance, the electron distribution function is very close to Maxwellian, while as the pump frequency approaches the double resonance, it develops a high energy tail. The simulations show turbulence involving coupling between Lower Hybrid (LH) and UH waves, followed by excitation of Electron Bernstein (EB) modes. For the particular case of a pump with frequency between n = 3 and n = 4, the EB modes cover the range from the first to the 5th mode. The simulations show that when the injected wave frequency is between the 3rd and 4th harmonics of the electron cyclotron frequency, bulk electron heating occurs due to the interaction between the electrons and large amplitude EB waves, primarily on the first EB branch leading to an essentially thermal distribution. On the other hand, when the frequency is slightly above the 4th electron cyclotron harmonic, the resonant interaction is predominantly due to the UH branch and leads to a further acceleration of high-velocity electrons and a distribution function with a suprathermal tail of energetic electrons. The results are consistent with ionospheric experiments and relevant to the production of Artificial Ionospheric Plasma Layers.

Accuracy of Hartree-Fock wave functions for electron-H/sub 2/ scattering calculations

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

Feldt, A.N.

1988-05-01

Recent papers on electron-N/sub 2/ scattering by Rumble, Stevens, and Truhlar (J. Phys. B 17, 3151 (1984)) and Weatherford, Brown, and Temkin (Phys. Rev. A 35, 4561 (1987)) have suggested that Hartree-Fock (HF) wave functions may not be accurate for calculating potentials for use in studying electron-molecule collisions. A comparison of results for electron-H/sub 2/ scattering using both correlated and HF wave functions is presented. It is found that for both elastic and inelastic collisions and for all energies considered (up to 10 eV) the HF wave functions yield results in excellent agreement with those obtained from the more accuratemore » wave functions.« less

Self-organized behavior of modeled shoreline shapes

NASA Astrophysics Data System (ADS)

Ashton, A.; Murray, A. B.

2003-04-01

Whenever waves approach a coast and break at oblique angles, they drive a current along the shore. This current, along with wave-induced sediment suspension, transports relatively large amounts of sediment, affecting the shape and evolution of a coastline. Traditionally, researchers have assumed that alongshore sediment transport will diffuse, or smooth, bumps along a shoreline. Recent research, however, shows that when the angle between wave crests in deep water and the shoreline is sufficiently high (greater than approximately 45 degrees), a shoreline is unstable. Linear stability analysis does not predict that this instability will cause a preferred wavelength of shoreline perturbation growth or that organized patterns will emerge. However, a simple numerical model of shoreline change shows those when there is a predominance of high angle waves approaching a shoreline, finite-amplitude features will develop that interact with each other and increase in wavelength over time, translating in the direction of net alongshore sediment transport. Some of these simulated features resemble naturally occurring shoreline features, such as 'alongshore sandwaves', 'ords', 'cuspate spits', and 'cuspate forelands'. By varying two wave climate parameters, one describing the relative dominance of waves approaching at high angles and the other controlling the signs of the approach angle of incoming waves (i.e., the asymmetry of waves approaching from the right vs. the left), we investigate how the attributes of the input wave climate determine the aspect ratio and characteristic form of the simulated features. Varying these two parameters also affects the wavelength of the initially fastest growing perturbation. By tracking the average wavelength of simulated features, which increases over time for all simulations, we show that more complicated phenomena, such as rapid period doubling, can dominate simulated shoreline evolution. These rich behaviors result from large-scale emergent interactions. Although the wave distribution determines the character of shoreline features, their specific configuration and evolution is sensitively dependant on both initial conditions and the stochastic sequencing of wave approach angles.

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