Modern Methods in Analytical Acoustics

Crighton, D. G.; Dowling, AP; Williams, J. E. Ffowcs; Heckl, M.; Leppington, F. G.

doi:10.1007/978-1-4471-0399-8

Cited by 440 publications

(295 citation statements)

References 0 publications

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“…Notably, an alternative approach would be to formulate the same model in the framework of generalised functions where discrete particles are represented as Heaviside functions (e.g. by representing atoms as particles of a finite size corresponding to the characteristic width of the interaction potential well), their derivatives become Dirac delta functions, and so on, the model derivation is similar to obtaining the Navier-Stokes solutions with discontinuous variables [9].…”

Section: The Underlying Two-way Coupling Approach and Its Reduction Tmentioning

confidence: 99%

Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution

Korotkin

Nerukh

Tarasova

et al. 2016

Journal of Computational Science

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Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution, Journal of Computational Science http://dx.doi.org/10. 1016/j.jocs.2016.03.012 This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. HighlightsWe have recently suggested and implemented a new approach to the problem of computing liquids at multiple scales in space and time based on the two-phase hydrodynamics analogy. Instead of separating the system into parts using boundaries, in the current hybrid approach the liquid is described as a nominally two-phase system consisting of both particle and continuum at the same time and using the continuum part of the model as an effective opendomain boundary condition for atomistic simulations. For the current paper, the method has been extended to dynamically tracking the atomistic-resolution features of interest which can evolve in the flow. Simulations of two very different biomolecular systems have been performed using our hybrid method implemented in the framework of the popular open-source GROMACS software. For both examples, it has been shown that the hybrid model can preserve important properties of the molecular part of the system. For the problem of peptide diffusion in water, the method has allowed obtaining the value of diffusion coefficient which is very close to that one of the reference all-atom simulation. For the virus in water problem, the method has preserved the structure of the virus capsid despite a relatively thin layer of molecular water around the proteins constituting the capsid, and which is in contrast with the all-atom simulation with the standard periodic boundary conditions. 3 Abstract A hybrid Molecular Dynamics/ Fluctuating Hydrodynamics framework based on the analogy with two-phase hydrodynamics has been extended to dynamically tracking the feature of interest at all-atom resolution. In the model, the hydrodynamics description is used as an effective boundary condition to close the molecular dynamics solution without resorting to standard periodic boundary conditions. The approach is implemented in a popular Molecular Dynamics package GROMACS and results for two biomolecular systems are reported. A small peptide dialanine and a complete capsid of a virus porcine circovirus 2 in water are considered and shown to reproduce the structural and dynamic properties compared to those obtained in theory, purely atomistic simulations, and experiment.

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Section: The Underlying Two-way Coupling Approach and Its Reduction Tmentioning

confidence: 99%

Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution

Korotkin

Nerukh

Tarasova

et al. 2016

Journal of Computational Science

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“…Therefore for the function F(x, t) = ρv i , the integral in Equation 2.6 take the form 8) and therefore…”

Section: The Momentum Equationmentioning

confidence: 99%

“…Trapped sound waves produced by a flame which are localised near the source and confined within a gas turbine, afterburner, furnace or other thermofluid device involve pressure fluctuations whose interaction with the flame modulates the heat release by changing the fuel burn rate. Large amplitude 'combustion instabilities' arise from this back-reaction when pressure and heat release are appropriately phased [1][2][3][4][5][6][7][8][9][10]. These instabilities are a significant source of structural fatigue and noise radiated into the environment.…”

Section: Introductionmentioning

confidence: 99%

On the thermo-acoustic Fant equation

Murray

Howe

2012

Journal of Sound and Vibration

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“…The far-field solutions are expanded into series of spherical harmonics. The principle of asymptotic matching ensures that there exists an overlap region between the inner and outer fields where the asymptotic representation of the inner solution (at the farfield limit) be identical to that of the outer solution (at the near-field limit) [17,19]. By matching this condition, the weighted coefficients of spherical harmonics and the far-field solutions are obtained and the inner, outer, and hole solutions are combined together to give the whole solutions of the underlying problem.…”

Section: Geometry and Governing Equationsmentioning

confidence: 99%

Multipole Expansion of Electromagnetic Scattering Wave by a Small Cylindrical Pore on a Perfect Conducting Semi-Infinite Half Space

Kuo¹,

Chern²,

Chang³

2010

PIER B

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Abstract-The scattering of an oblique electromagnetic wave incident on a sub-wavelength circular pore with a finite depth on the surface of a semi-infinite perfect conductor is investigated analytically. We use the method of matched asymptotic expansion to find the multipole structure. The expansion is based on the duality property of the source-free Maxwell equations, and the resultant scattering fields are fully expressed in terms of the scalar and the conjugate vector potentials. There are two regions defined by the analytical method: the electro/magneto-static inner region and the radiation outer wave region. For both TM and TE incidences, the scattering waves are lead by leading dipoles. In the next order of the scattering waves, a mixture of the dipole, the quadrupole and the octupole is found. This is a striking finding, that the multipoles are not organized in a strictly ascending manner when the size of the pore is considered. In addition, the sophisticated three-dimensional interplay of the multipoles, the pore depth, and the incident angle is revealed. The magnitudes of the scattering dipoles are confirmed convergent smoothly to those of the back-scattering dipoles of electromagnetic waves transmitted through a hole in a perfect conducting plate with a finite thickness when the pore depth is larger than about 1, normalize to the pore radius.

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Modern Methods in Analytical Acoustics

Cited by 440 publications

References 0 publications

Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution

Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution

On the thermo-acoustic Fant equation

Multipole Expansion of Electromagnetic Scattering Wave by a Small Cylindrical Pore on a Perfect Conducting Semi-Infinite Half Space

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