Large-scale plane wave shock experiments designed for sample recovery
Prototype explosive assembly for large scale plane wave shock experiments on rock specimen in laboratory
SHOCK WAVE GENERATOR↗
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Plane waves at or near grazing incidence in the parabolic approximation
The parabolic approximation for the acoustic equations of motion is applied to the study of the sound field generated by a plane wave at or near grazing incidence to a finite impedance boundary. It is shown how this approximation accounts for effects neglected in the usual plane wave reflection analysis which, at grazing incidence, erroneously predicts complete cancellation of the incident field by the reflected field. Examples are presented which illustrate that the solution obtained by the parabolic approximation contains several of the physical phenomena known to occur in wave propagation near an absorbing boundary.
Mcaninch, G. L.↗
The use of the three dimensional coherency matrix in analyzing the polarization properties of plane waves
A technique for analyzing the polarization properties of plane waves is developed which offers a number of advantages over methods currently used in the analysis of both ground and satellite observations of waves. This technique reduces the computations required to find the wave normal vector, is less sensitive to common noise sources, and is amenable to analog implementation. This technique is applied specifically to the analysis of a proton whistler, but may also be used in most studies of ULF, ELF, and VLF magnetic wave phenomena.
Means, J. D.↗
Plane waves and structures in turbulent channel flow
A direct simulation of turbulent flow in a channel is analyzed by the method of empirical eigenfunctions (Karhunen-Loeve procedure, proper orthogonal decomposition). This analysis reveals the presence of propagating plane waves in the turbulent flow. The velocity of propagation is determined by the flow velocity at the location of maximal Reynolds stress. The analysis further suggests that the interaction of these waves appears to be essential to the local production of turbulence via bursting or sweeping events in the turbulent boundary layer, with the additional suggestion that the fast acting plane waves act as triggers.
Sirovich, L.↗
Plane wave scattering from a rough surface with correlated large and small scale orders of roughness
Plane wave scattering from rough surface with correlated large and small scale orders of roughness
ELECTROMAGNETIC SCATTERING↗
Correlation consistent effective core potentials for late 3 d transition metals adapted for plane wave calculations
We construct a new modification of correlation consistent effective core potentials (ccECPs) for late 3d elements Cr–Zn with Ne-core that are adapted for efficiency and low energy cut-offs in plane wave calculations. The decrease in accuracy is rather minor, so that the constructions are in the same overall accuracy class as the original ccECPs. The resulting new constructions work with energy cut-offs at or below ≈400 Ry and, thus, make calculations of large systems with transition metals feasible for plane wave codes. We also provide the basic benchmarks for atomic spectra and molecular tests of this modified option that we denote as ccECP-soft.
Chemistry↗
Ab initio electronic density in solids by many-body plane-wave auxiliary-field quantum Monte Carlo calculations
We present accurate many-body results of the electronic densities in several solid materials, including Si, NaCl, and Cu. These results are obtained using the ab initio auxiliary-field quantum Monte Carlo (AFQMC) method working in a plane-wave basis with norm-conserving, multiple-projector pseudopotentials. AFQMC has been shown to be an excellent many-body total energy method. Computation of observables and correlation functions other than the ground-state energy requires back-propagation, whose adaption and implementation in the plane-wave basis AFQMC framework are discussed in the present paper. This development allows us to compute correlation functions, electronic densities, and interatomic forces, paving the way for geometry optimizations and calculations of thermodynamic properties in solids. Finite supercell size effects are considerably more subtle in the many-body framework than in independent-electron calculations. We analyze the convergence of the electronic density, and obtain best estimates for the thermodynamic limit. The densities from several typical density functionals are benchmarked against our near-exact results. The electronic densities we obtained can also be used to help construct improved density functionals.
36 MATERIALS SCIENCE↗
Forces acting on stationary and moving solid obstacles in plane wave sound fields
Aerodynamic forces acting on oscillating cylinders in plane wave sound fields
Sutherland, L. C.↗
The propagation of plane waves in a thermally stratified atmosphere
The behavior of a plane wave reflecting from a finite impedance surface with a realistic atmospheric temperature profile is investigated. An approximate solution has been implemented on a digital computer and this solution is presented graphically for a number of cases at low incidence angles.
Van Moorhem, W. K.↗
Saturation and the limit of jet mixing enhancement by single frequency plane wave excitation: Experiment and theory
The limitations of single frequency plane wave excitation in mixing enhancement are investigated for a circular jet. Measurements made in an 8.8 cm diameter jet are compared with a theoretical model. The measurements are made to quantify mixing at excitation amplitudes up to 2 percent of the jet exit velocity. The initial boundary layer state, the exit mean and fluctuating velocity profiles and spectra are documented for all cases considered. The amplitude of the fundamental wave is recorded along the jet axis for various levels of excitation. As the amplitude of excitation is increased the jet spreading rate is increased, but beyond a saturation amplitude further increases have no effect on the spreading. The experimental results are compared with theoretical estimates. In the theory the flow is split into the mean flow, large scale motions, and fine scale turbulence. Shape assumptions for the mean flow, and fine scale turbulence along with the shape for the large scale motions obtained from a linear stability theory provide the closure. The experimental results compare reasonably well with predictions.
Raman, Ganesh↗
Saturation and the limit of jet mixing enhancement by single frequency plane wave excitation - Experiment and theory
The limitations of single frequency plane wave excitation in mixing enhancement are investigated for a circular jet. Measurements made in an 8.8 cm diameter jet are compared with a theoretical model. The measurements are made to quantify mixing at excitation amplitudes up to 2 percent of the jet exit velocity. The initial boundary layer state, the exit mean and fluctuating velocity profiles and spectra are documented for all cases considered. The amplitude of the fundamental wave is recorded along the jet axis for various levels of excitation. As the amplitude of excitation is increased the jet spreading rate is increased, but beyond a saturation amplitude further increases have no effect on the spreading. The experimental results are compared with theoretical estimates. In the theory the flow is split into the mean flow, large scale motions, and fine scale turbulence. Shape assumptions for the mean flow, and fine scale turbulence along with the shape for the large scale motions obtained from a linear stability theory provide the closure. The experimental results compare reasonably well with predictions.
Raman, Ganesh↗
On the propagation of plane waves above an impedance surface
The propagation of grazing incidence plane waves along a finite impedance boundary is investigated. A solution of the semi-infinite problem, where a harmonic motion, parallel to the boundary, is imposed along a line perpendicular to the boundary, is obtained. This solution consists of quasiplane waves, waves moving parallel to the boundary with amplitude and phase variations perpendicular to the boundary. Several approximations to the full solution are considered.
Zhong, F. H.↗
The use of the plane wave fluid-structure interaction loading approximation in NASTRAN
The Plane Wave Approximation (PWA) is widely used in finite element analysis to implement the loading generated by an underwater shock wave. The method required to implement the PWA in NASTRAN is presented along with example problems. A theoretical background is provided and the limitations of the PWA are discussed.
Dawson, R. L.↗
A high frequency analysis of electromagnetic plane wave scattering by perfectly-conducting semi-infinite parallel plate and rectangular waveguides with absorber coated inner walls
An approximate but sufficiently accurate high frequency solution which combines the uniform geometrical theory of diffraction (UTD) and the aperture integration (AI) method is developed for analyzing the problem of electromagnetic (EM) plane wave scattering by an open-ended, perfectly-conducting, semi-infinite hollow rectangular waveguide (or duct) with a thin, uniform layer of lossy or absorbing material on its inner wall, and with a planar termination inside. In addition, a high frequency solution for the EM scattering by a two dimensional (2-D), semi-infinite parallel plate waveguide with a absorber coating on the inner walls is also developed as a first step before analyzing the open-ended semi-infinite three dimensional (3-D) rectangular waveguide geometry. The total field scattered by the semi-infinite waveguide consists firstly of the fields scattered from the edges of the aperture at the open-end, and secondly of the fields which are coupled into the waveguide from the open-end and then reflected back from the interior termination to radiate out of the open-end. The first contribution to the scattered field can be found directly via the UTD ray method. The second contribution is found via the AI method which employs rays to describe the fields in the aperture that arrive there after reflecting from the interior termination. It is assumed that the direction of the incident plane wave and the direction of observation lie well inside the forward half space tht exists outside the half space containing the semi-infinite waveguide geometry. Also, the medium exterior to the waveguide is assumed to be free space.
Noh, H. M.↗
Identifying the Molecular Edge Termination of Exfoliated Hexagonal Boron Nitride Nanosheets with Solid-State NMR Spectroscopy and Plane-Wave DFT Calculations
Hexagonal boron nitride nanosheets (h-BNNS), the isoelectronic analog to graphene, have received interest over the past decade due to their high thermal oxidative resistance, high bandgap, catalytic activity, and low cost. The functional groups that terminate boron and nitrogen zigzag and/or armchair edges directly affect their chemical, physical, and electronic properties. However, an understanding of the molecular edge termination present in h-BNNS is lacking. Here, high-resolution magic-angle spinning (MAS) solid-state NMR (SSNMR) spectroscopy, and plane-wave density-functional theory (DFT) calculations are used to determine the molecular edge termination in exfoliated h-BNNS. 1 H → 11 B cross-polarization MAS (CPMAS) SSNMR spectra of h-BNNS revealed multiple hydroxyl/oxygen coordinated boron edge sites that were not detectable in direct excitation experiments. A dynamic nuclear polarization (DNP)-enhanced 1 H → 15 N CPMAS spectrum of h-BNNS displayed four distinct 15 N resonances while a 2D 1 H{ 14 N} dipolar-HMQC spectrum acquired with fast MAS revealed three distinct 14 N environments. Plane-wave DFT calculations were used to construct model edge structures and predict the corresponding 11 B, 14 N and 15 N SSNMR spectra. Comparison of the experimental and predicted SSNMR spectra confirms that zigzag and armchair edges with both amine and boron hydroxide/oxide termination are present. The detailed characterization of h-BNNS molecular edge termination will prove useful for many material science applications. The techniques outlined here should also be applicable to understand the molecular edge terminations in other 2D materials
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set
KSSOLV (Kohn-Sham Solver) is a MATLAB toolbox for performing Kohn-Sham density functional theory (DFT) calculations with a plane-wave basis set. KSSOLV 2.0 preserves the design features of the original KSSOLV software to allow users and developers to easily set up a problem and perform ground-state calculations as well as to prototype and test new algorithms. Furthermore, it includes new functionalities such as new iterative diagonalization algorithms, k-point sampling for electron band structures, geometry optimization and advanced algorithms for performing DFT calculations with local, semi-local, and hybrid exchange-correlation functionals. It can be used to study the electronic structures of both molecules and solids. So, we describe these new capabilities in this work through a few use cases. We also demonstrate the numerical accuracy and computational efficiency of KSSOLV on a variety of examples.
97 MATHEMATICS AND COMPUTING↗
Reflection of plane waves from the flat boundary of a micropolar elastic half-space.
Reflection of plane waves from stress free flat surface of micropolar elastic half space, presenting reflection laws and amplitude ratios
Eringen, A. C.↗
Acoustic plane waves normally incident on a clamped panel in a rectangular duct
The theory of acoustic plane wave normally incident on a clamped panel in a rectangular duct is developed. The coupling theory between the elastic vibrations of the panel (plate) and the acoustic wave propagation in infinite space and in the rectangular duct is considered. The partial differential equation which governs the vibration of the panel (plate) is modified by adding to its stiffness (spring) forces and damping forces, and the fundamental resonance frequency and the attenuation factor are discussed. The noise reduction expression based on the theory is found to agree well with the corresponding experimental data of a sample aluminum panel in the mass controlled region, the damping controlled region, and the stiffness controlled region. All the frequency positions of the upward and downward resonance spikes in the sample experimental data are identified theoretically as resulting from four cross interacting major resonance phenomena: the cavity resonance, the acoustic resonance, the plate resonance, and the wooden back panel resonance.
Unz, H.↗