Modeling Frequency-Dependent Boundaries as Digital Impedance Filters in FDTD and K-DWM Room Acoustics Simulations

A new method for modeling-frequency-dependent boundaries in finite-difference time-domain (FDTD) and Kirchhoff variable digital waveguide mesh (K-DWM) room acoustics simulations is presented. The proposed approach allows the direct incorporation of a digital impedance filter (DIF) in the Multidimensional (2D or 3D) FDTD boundary model of a locally reacting surface. An explicit boundary update equation is obtained by carefully constructing a Suitable recursive formulation. The method is analyzed in terms of pressure wave reflectance for different wall impedance filters and angles of incidence. Results obtained from numerical experiments confirm the high accuracy of the proposed digital impedance filter boundary model, the reflectance of which matches locally reacting surface (LRS) theory closely. Furthermore a numerical boundary analysis (NBA) formula is provided as a technique for an analytic evaluation of the numerical reflectance of the proposed digital impedance filter boundary formulation.

Ixaru's Extended Frequency Dependent Quadrature Rules for Slater Integrals: Parallel Computation Issues

We describe recent progress of an ongoing research programme aimed at producing computational science software that can exploit high performance architectures in the atomic physics application domain. We examine the computational bottleneck of matrix construction in a suite of two-dimensional R-matrix propagation programs, 2DRMP, that are aimed at creating virtual electron collision experiments on HPC architectures. We build on Ixaru's extended frequency dependent quadrature rules (EFDQR) for Slater integrals and examine the challenge of constructing Hamiltonian matrices in parallel across an m-processor compute node in a block cyclic distribution for subsequent diagonalization by ScaLAPACK.

Resolution theory, and static and frequency-dependent cross-talk in piezoresponse force microscopy

Probing the functionality of materials locally by means of scanning probe microscopy (SPM) requires a reliable framework for identifying the target signal and separating it from the effects of surface morphology and instrument non-idealities, e.g. instrumental and topographical cross-talk. Here we develop a linear resolution theory framework in order to describe the cross-talk effects, and apply it for elucidation of frequency-dependent cross-talk mechanisms in piezoresponse force microscopy. The use of a band excitation method allows electromechanical/electrical and mechanical/topographic signals to be unambiguously separated. The applicability of a functional fit approach and multivariate statistical analysis methods for identification of data in band excitation SPM is explored.

A Frequency-Dependent Equivalence Between Groove Gap Waveguide and Rectangular Waveguide

Recently gap waveguides have been shown as a potential alternative to conventional waveguides in the millimeter-wave band. Groove Gap Waveguide (GGW) has until now been studied though direct correspondence with rectangular waveguide with the same propagation channel dimensions. However there have been observed differences in the above cutoff propagation characteristics between these waveguide types. Furthermore, the behaviour of GGW below cutoff remains unknown. This work presents a discussion of below and above cutoff propagation characteristics, and introduces a simple model that explains observed GGW behavior and establishes its propagation characteristics.

A generalized functional response for predators that switch between multiple prey species

We develop a theory for the food intake of a predator that can switch between multiple prey species. The theory addresses empirical observations of prey switching and is based on the behavioural assumption that a predator tends to continue feeding on prey that are similar to the prey it has consumed last, in terms of, e.g., their morphology, defences, location, habitat choice, or behaviour. From a predator's dietary history and the assumed similarity relationship among prey species, we derive a general closed-form multi-species functional response for describing predators switching between multiple prey species. Our theory includes the Holling type II functional response as a special case and makes consistent predictions when populations of equivalent prey are aggregated or split. An analysis of the derived functional response enables us to highlight the following five main findings. (1) Prey switching leads to an approximate power-law relationship between ratios of prey abundance and prey intake, consistent with experimental data. (2) In agreement with empirical observations, the theory predicts an upper limit of 2 for the exponent of such power laws. (3) Our theory predicts deviations from power-law switching at very low and very high prey-abundance ratios. (4) The theory can predict the diet composition of a predator feeding on multiple prey species from diet observations for predators feeding only on pairs of prey species. (5) Predators foraging on more prey species will show less pronounced prey switching than predators foraging on fewer prey species, thus providing a natural explanation for the known difficulties of observing prey switching in the field. (C) 2013 Elsevier Ltd. All rights reserved.

Piezoresponse force microscopy of ferroelectric thin films: Frequency dependence of phase imaging

The objective of this work is an evaluation of quantitative measurements of piezoresponse force microscopy for nanoscale characterization of ferroelectric films. To this end, we investigate how the piezoresponse phase difference Delta Phi between c domains depends on the frequency omega of the applied ac field much lower than the cantilever first resonance frequency. The main specimen under study was a 102 nm thick film of Pb(Zr(0.2)Ti(0.8))O(3). For the sake of comparison, a 100 nm thick PbTiO(3) film was also used. From our measurements, we conclude a frequency dependent behavior Delta Phi similar to omega(-1), which can only be partially explained by the presence of adsorbates on the surface. (C) 2008 American Institute of Physics.

Discrete-time modelling of woodwind instrument bores using wave variables

A method for simulation of acoustical bores, useful in the context of sound synthesis by physical modeling of woodwind instruments, is presented. As with previously developed methods, such as digital waveguide modeling (DWM) [Smith, Comput. Music J. 16, pp 74-91 (1992)] and the multi convolution algorithm (MCA) [Martinez et al., J. Acoust. Soc. Am. 84, pp 1620-1627 (1988)], the approach is based on a one-dimensional model of wave propagation in the bore. Both the DWM method and the MCA explicitly compute the transmission and reflection of wave variables that represent actual traveling pressure waves. The method presented in this report, the wave digital modeling (WDM) method, avoids the typical limitations associated with these methods by using a more general definition of the wave variables. An efficient and spatially modular discrete-time model is constructed from the digital representations of elemental bore units such as cylindrical sections, conical sections, and toneholes. Frequency-dependent phenomena, such as boundary losses, are approximated with digital filters. The stability of a simulation of a complete acoustic bore is investigated empirically. Results of the simulation of a full clarinet show that a very good concordance with classic transmission-line theory is obtained.

Nonlinear response of permanent dipoles in a uniaxial potential to alternating fields

It is shown how the existing theory of the dynamic Kerr effect and nonlinear dielectric relaxation based on the noninertial Brownian rotation of noninteracting rigid dipolar particles may be generalized to take into account interparticle interactions using the Maier-Saupe mean field potential. The results (available in simple closed form) suggest that the frequency dependent nonlinear response provides a method of measuring the Kramers escape rate (or in the analogous problem of magnetic relaxation of fine single domain ferromagnetic particles, the superparamagnetic relaxation time).

Formulation of Locally Reacting Surfaces in FDTD/K-DWM Modelling of Acoustic Spaces

In this paper, we present new methods for constructing and analysing formulations of locally reacting surfaces that can be used in finite difference time domain (FDTD) simulations of acoustic spaces. Novel FDTD formulations of frequency-independent and simple frequency-dependent impedance boundaries are proposed for 2D and 3D acoustic systems, including a full treatment of corners and boundary edges. The proposed boundary formulations are designed for virtual acoustics applications using the standard leapfrog scheme based on a rectilinear grid, and apply to FDTD as well as Kirchhoff variable digital waveguide mesh (K-DWM) methods. In addition, new analytic evaluation methods that accurately predict the reflectance of numerical boundary formulations are proposed. numerical experiments and numerical boundary analysis (NBA) are analysed in time and frequency domains in terms of the pressure wave reflectance for different angles of incidence and various impedances. The results show that the proposed boundary formulations structurally adhere well to the theoretical reflectance. In particular, both reflectance magnitude and phase are closely approximated even at high angles of incidence and low impedances. Furthermore, excellent agreement was found between the numerical boundary analysis and the experimental results, validating both as tools for researching FDTD boundary formulations.

Wideband and Isotropic Room Acoustics Simulation Using 2-D Interpolated FDTD Schemes

In this paper, a complete method for finite-difference time-domain modeling of rooms in 2-D using compact explicit schemes is presented. A family of interpolated schemes using a rectilinear, nonstaggered grid is reviewed, and the most accurate and isotropic schemes are identified. Frequency-dependent boundaries are modeled using a digital impedance filter formulation that is consistent with locally reacting surface theory. A structurally stable and efficient boundary formulation is constructed by carefully combining the boundary condition with the interpolated scheme. An analytic prediction formula for the effective numerical reflectance is given, and a stability proof provided. The results indicate that the identified accurate and isotropic schemes are also very accurate in terms of numerical boundary reflectance, and outperform directly related methods such as Yee's scheme and the standard digital waveguide mesh. In addition, one particular scheme-referred to here as the interpolated wideband scheme-is suggested as the best scheme for most applications.

Time domain wave separation using multiple microphones

Methods of measuring the acoustic behavior of tubular systems can be broadly characterized as steady state measurements, where the measured signals are analyzed in terms of infinite duration sinusoids, and reflectometry measurements which exploit causality to separate the forward and backward going waves in a duct. This paper sets out a multiple microphone reflectometry technique which performs wave separation by using time domain convolution to track the forward and backward going waves in a cylindrical source tube. The current work uses two calibration runs (one for forward going waves and one for backward going waves) to measure the time domain transfer functions for each pair of microphones. These time domain transfer functions encode the time delay, frequency dependent losses and microphone gain ratios for travel between microphones. This approach is applied to the measurement of wave separation, bore profile and input impedance. The work differs from existing frequency domain methods in that it combines the information of multiple microphones within a time domain algorithm, and differs from existing time domain methods in its inclusion of the effect of losses and gain ratios in intermicrophone transfer functions.

Room acoustics simulation using 3-D compact explicit FDTD schemes

This paper presents methods for simulating room acoustics using the finite-difference time-domain (FDTD) technique, focusing on boundary and medium modeling. A family of nonstaggered 3-D compact explicit FDTD schemes is analyzed in terms of stability, accuracy, and computational efficiency, and the most accurate and isotropic schemes based on a rectilinear grid are identified. A frequency-dependent boundary model that is consistent with locally reacting surface theory is also presented, in which the wall impedance is represented with a digital filter. For boundaries, accuracy in numerical reflection is analyzed and a stability proof is provided. The results indicate that the proposed 3-D interpolated wideband and isotropic schemes outperform directly related techniques based on Yee's staggered grid and standard digital waveguide mesh, and that the boundary formulations generally have properties that are similar to that of the basic scheme used.

Spontaneous spin polarization and charge localization in metal nanowires: the role of a geometric constriction

An idealized jellium model of conducting nanowires with a geometric constriction is investigated by density functional theory (DFT) in the local spin density (LSD) approximation. The results reveal a fascinating variety of spin and charge patterns arising in wires of sufficiently low (r(s) >= 15) average electron density, pinned at the indentation by an apparent attractive interaction with the constriction. The spin-resolved frequency-dependent conductivity shows a marked asymmetry in the two spin channels, reflecting the spontaneous spin polarization around the wire neck. The relevance of the computational results is discussed in relation to the so-called 0.7 anomaly found by experiments in the low-frequency conductivity of nanowires at near-breaking conditions (see 2008 J. Phys.: Condens Matter 20, special issue on the 0.7 anomaly). Although our mean-field approach cannot account for the intrinsic many-body effects underlying the 0.7 anomaly, it still provides a diagnostic tool to predict impending transitions in the electronic structure.