A spectral multiscale method for wave propagation analysis: Atomistic-continuum coupled simulation

In this paper, we present a new multiscale method which is capable of coupling atomistic and continuum domains for high frequency wave propagation analysis. The problem of non-physical wave reflection, which occurs due to the change in system description across the interface between two scales, can be satisfactorily overcome by the proposed method. We propose an efficient spectral domain decomposition of the total fine scale displacement along with a potent macroscale equation in the Laplace domain to eliminate the spurious interfacial reflection. We use Laplace transform based spectral finite element method to model the macroscale, which provides the optimum approximations for required dynamic responses of the outer atoms of the simulated microscale region very accurately. This new method shows excellent agreement between the proposed multiscale model and the full molecular dynamics (MD) results. Numerical experiments of wave propagation in a 1D harmonic lattice, a 1D lattice with Lennard-Jones potential, a 2D square Bravais lattice, and a 2D triangular lattice with microcrack demonstrate the accuracy and the robustness of the method. In addition, under certain conditions, this method can simulate complex dynamics of crystalline solids involving different spatial and/or temporal scales with sufficient accuracy and efficiency. (C) 2014 Elsevier B.V. All rights reserved.

Wave propagation of phonon and phason displacement modes in quasicrystals: Determination of wave parameters

The paper presents the study of wave propagation in quasicrystals. Our interest is in the computation of the wavenumber (k(n)) and group speed (c(g)) of the phonon and phason displacement modes of one, two, and three dimensional quasicrystals. These wave parameter expressions are derived and computed using the elasto-hydrodynamic equations for quasicrystals. For the computation of the wavenumber and group speeds, we use Fourier transform approximation of the phonon and the phason displacement modes. The characteristic equations obtained are a polynomial equation of the wavenumber (k(n)), with frequency as a parameter. The corresponding group speeds (c(g)) for different frequencies are then computed from the wavenumber k(n). The variation of wavenumber and group speeds with frequency is plotted for the 1-D quasicrystal, 2-D decagonal Al-Ni-Co quasicrystals, and 3-D icosahedral Al-Pd-Mn and Zn-Mg-Sc quasicrystals. From the wavenumber and group speeds plots, we obtain the cut-off frequencies for different spatial wavenumber eta(m). The results show that for 1-D, 2-D, and 3-D quasicrystals, the phonon displacement modes are non-dispersive for low values of eta(m) and becomes dispersive for increasing values of eta(m). The cut-off frequencies are not observed for very low values of eta(m), whereas the cut-off frequency starts to appear with increasing eta(m). The group speeds of the phason displacement modes are orders of magnitude lower than that of the phonon displacement modes, showing that the phason modes do not propagate, and they are essentially the diffusive modes. The group speeds of the phason modes are also not influenced by eta(m). The group speeds for the 2-D quasicrystal at 35 kHz is also simulated numerically using Galerkin spectral finite element methods in frequency domain and is compared with the results obtained using wave propagation analysis. The effect of the phonon and phason elastic constants on the group speeds is studied using 3-D icosahedral Al-Pd-Mn and Zn-Mg-Sc quasicrystals. It is also shown that the phason elastic constants and the coupling coefficient do not affect the group speeds of the phonon displacement modes. (C) 2015 AIP Publishing LLC.

Towards an exact factorization of the molecular wave function

An exact single-product factorisation of the molecular wave function for the timedependent Schrodinger equation is investigated by using an ansatz involving a phasefactor. By using the Frenkel variational method, we obtain the Schrodinger equations for the electronic and nuclear wave functions. The concept of a potential energy surface (PES) is retained by introducing a modified Hamiltonian as suggested earlier by Cederbaum. The parameter in the phase factor is chosen such that the equations of motion retain the physically appealing Born- Oppenheimer-like form, and is therefore unique.

Wave propagation in a 2D nonlinear structural acoustic waveguide using asymptotic expansions of wavenumbers

Nonlinear acoustic wave propagation in an infinite rectangular waveguide is investigated. The upper boundary of this waveguide is a nonlinear elastic plate, whereas the lower boundary is rigid. The fluid is assumed to be inviscid with zero mean flow. The focus is restricted to non-planar modes having finite amplitudes. The approximate solution to the acoustic velocity potential of an amplitude modulated pulse is found using the method of multiple scales (MMS) involving both space and time. The calculations are presented up to the third order of the small parameter. It is found that at some frequencies the amplitude modulation is governed by the Nonlinear Schrodinger equation (NLSE). The first objective here is to study the nonlinear term in the NLSE. The sign of the nonlinear term in the NLSE plays a role in determining the stability of the amplitude modulation. Secondly, at other frequencies, the primary pulse interacts with its higher harmonics, as do two or more primary pulses with their resultant higher harmonics. This happens when the phase speeds of the waves match and the objective is to identify the frequencies of such interactions. For both the objectives, asymptotic coupled wavenumber expansions for the linear dispersion relation are required for an intermediate fluid loading. The novelty of this work lies in obtaining the asymptotic expansions and using them for predicting the sign change of the nonlinear term at various frequencies. It is found that when the coupled wavenumbers approach the uncoupled pressure-release wavenumbers, the amplitude modulation is stable. On the other hand, near the rigid-duct wavenumbers, the amplitude modulation is unstable. Also, as a further contribution, these wavenumber expansions are used to identify the frequencies of the higher harmonic interactions. And lastly, the solution for the amplitude modulation derived through the MMS is validated using these asymptotic expansions. (C) 2015 Elsevier Ltd. All rights reserved.

Weakly nonlinear acoustic wave propagation in a nonlinear orthotropic circular cylindrical waveguide

Nonlinear acoustic wave propagation is considered in an infinite orthotropic thin circular cylindrical waveguide. The modes are non-planar having small but finite amplitude. The fluid is assumed to be ideal and inviscid with no mean flow. The cylindrical waveguide is modeled using the Donnell's nonlinear theory for thin cylindrical shells. The approximate solutions for the acoustic velocity potential are found using the method of multiple scales (MMS) in space and time. The calculations are presented up to the third order of the small parameter. It is found that at some frequencies the amplitude modulation is governed by the Nonlinear Schrodinger Equation (NLSE). The first objective is to study the nonlinear term in the NLSE, as the sign of the nonlinear term determines the stability of the amplitude modulation. On the other hand, at other specific frequencies, interactions occur between the primary wave and its higher harmonics. Here, the objective is to identify the frequencies of the higher harmonic interactions. Lastly, the linear terms in the NLSE obtained using the MMS calculations are validated. All three objectives are met using an asymptotic analysis of the dispersion equation. (C) 2015 Acoustical Society of America.

Numerical Analysis of a Dual Polarization Mode-Locked Laser with a Quarter Wave Plate

Dynamical behaviors and frequency characteristics of an active mode-locked laser with a quarter wave plate (QWP) are numerically studied by using a set pf vectorial laser equation. Like a polarization self-modulated laser, a frequency shift of half the cavity mode spacing exists between the eigen-modes in the two neutral axes of QWP. Within the active medium, the symmetric gain and cavity structure maintain the pulse's circular polarization with left-hand and right-hand in turn for each round trip. Once the left-hand or right-hand circularly polarized pulse passes through QWP, its polarization is linear and the polarized direction is in one of the directions of i45o with respect to the neutral axes of QWP. The output components in the directions of i45" from the mirror close to QWP are all linearly polarized with a period of twice the round-trip time.

Stress Wave Propagation in a Gradient Elastic Medium

The gradient elastic constitutive equation incorporating the second gradient of the strains is used to determine the monochromatic elastic plane wave propagation in a gradient infinite medium and thin rod. The equation of motion, together with the internal material length, has been derived. Various dispersion relations have been determined. We present explicit expressions for the relationship between various wave speeds, wavenumber and internal material length.

Damping of Vertically Excited Surface Wave in Weakly Viscous Fluid

In a vertically oscillating circular cylindrical container, singular perturbation theory of two-time scale expansions is developed in weakly viscous fluids to investigate the motion of single free surface standing wave by linearizing the Navier-Stokes equation. The fluid field is divided into an outer potential flow region and an inner boundary layer region. The solutions of both two regions are obtained and a linear amplitude equation incorporating damping term and external excitation is derived. The condition to appear stable surface wave is obtained and the critical curve is determined. In addition, an analytical expression of damping coefficient is determined. Finally, the dispersion relation, which has been derived from the inviscid fluid approximation, is modified by adding linear damping. It is found that the modified results are reasonably closer to experimental results than former theory. Result shows that when forcing frequency is low, the viscosity of the fluid is prominent for the mode selection. However, when forcing frequency is high, the surface tension of the fluid is prominent.

A family of interesting exact solutions of the sine-Gordon equation

By using AKNS [Phys. Rev. Lett. 31 (1973) 125] system and introducing the wave function, a family of interesting exact solutions of the sine-Gordon equation are constructed. These solutions seem to be some soliton, kink, and anti-kink ones respectively for the different choice of the spectrum, whereas due to the interaction between two traveling-waves they have some properties different from usual soliton, kink, and anti-kink solutions.

Instability of the vertically forced surface wave in a circular cylindrical container

The nonlinear amplitude equation, which was derived by Jian Yongjun employing expansion of two-time scales in inviscid fluids in a vertically oscillating circular cylindrical vessel, is modified by introducing a damping term due to the viscous dissipation of this system. Instability of the surface wave is analysed and properties of the solutions of the modified equation are determined together with phase-plane trajectories. A necessary condition of forming a stable surface wave is obtained and unstable regions are illustrated. Research results show that the stable pattern of surface wave will not lose its stability to an infinitesimal disturbance.

Vertically forced surface wave in weakly viscous fluids bounded in a circular cylindrical vessel

Two-time scale perturbation expansions were developed in weakly viscous fluids to investigate surface wave motions by linearizing the Navier-Stokes equation in a circular cylindrical vessel which is subject to a vertical oscillation. The fluid field was divided into an outer potential flow region and an inner boundary layer region. A linear amplitude equation of slowly varying complex amplitude, which incorporates a damping term and external excitation, was derived for the weakly viscid fluids. The condition for the appearance of stable surface waves was obtained and the critical curve was determined. In addition, an analytical expression for the damping coefficient was determined and the relationship between damping and other related parameters (such as viscosity, forced amplitude, forced frequency and the depth of fluid, etc.) was presented. Finally, the influence both of the surface tension and the weak viscosity on the mode formation was described by comparing theoretical and experimental results. The results show that when the forcing frequency is low, the viscosity of the fluid is prominent for the mode selection. However, when the forcing frequency is high, the surface tension of the fluid is prominent.

Thermal stress wave and spallation induced by an electron beam

Thermal stress wave and spallation in aluminium alloy exposed to a high fluency and low energy electron beams are studied theoretically. A simple model for the study of energy deposition of electrons in materials is presented on the basis of some empirical formulae. Under the stress wave induced by energy deposition, microcracks and/or microvoids may appear in target materials, and in this case, the inelastic volume deformation should not vanish. The viscoplastic model proposed by Bodner and Partom with corresponding Gurson's yield function requires modification for this situation. The new constitutive model contains a scalar field variable description of the material damage which is taken as the void volume fraction of the polycrystalline material. Incorporation of the damage parameter permits description of rate-dependent, compressible, inelastic deformation and ductile fracture. The melting phenomenon has been observed in the experiment, therefore one needs to take into account the melting process in the intermediate energy deposition range. A three-phase equation of state used in the paper provides a more detailed and thermodynamical description of metals, particularly, in the melting region. The computational results based on the suggested model are compared with the experimental test for aluminium alloy, which is subjected to a pulsed electron beam with high fluency and low energy. (C) 1997 Elsevier Science Ltd.

3-dimensional transient wave response in a cracked elastic solid

The three-dimensional transient wave response problem is presented for an infinite elastic medium weakened by a plane crack of infinite length and finite width. Tractions are applied suddenly to the crack, which simulates the case of impact loading. The integral transforms are utilized to reduce the problem to a standard Fredholm integral equation in the Laplace transform variable and sequentially invert the Laplace transforms of the stress components by numerical inversion method. The dynamic mode I stress intensity factors at the crack tip are obtained and some numerical results are presented in graphical form.

Evolution and propagation of density waves on galactic disk .1. General evolution equation of wavelet and discussion of its solution

This paper presents a general self-consistent theory of evolution and propagation of wavelets on the galactic disk. A simplified model for this theory, i. e. the thin transition-layer approximation is proposed.There are three types of solutions to the basic equation governing the evolution of wavelets on the disk: (ⅰ) normal propagating type; (ⅱ) swing type; (ⅲ) general evolving type. The results show that the first two types are applicable to a certain domain on the galactic disk and a certain region of the wave number of wavelets. The third is needed to join the other two types and to yield a coherent total picture of the wave motion. From the present theory, it can be seen that the well-known "swing theory" of the G-L sheet model holds only for a certain class of basic states of galaxies.

Effect of current on the evolution of a solitary wave

In this paper, the effect of current on the evolution of a solitary wave is studied. The governing equation in the far field, KdV equation with variable coefficients, is derived. A solitary wave solution is obtained. The fission of a solitary wave is discussed, and the fissible region on the Q～h2-plane and the criterion of the number of the solitary waves after fission are found.