Research Papers: Micro/Nanoscale Heat Transfer

Atomistic Visualization of Anisotropic Wave Propagation in Crystals

[+] Author and Article Information
Neil Zuckerman

Department of Mechanical Engineering and Applied Mechanics, University of Pennsylvania, Philadelphia, PA 19104zuckermn@seas.upenn.edu

Jennifer R. Lukes

Department of Mechanical Engineering and Applied Mechanics, University of Pennsylvania, Philadelphia, PA 19104jrlukes@seas.upenn.edu

J. Heat Transfer 130(8), 082402 (May 30, 2008) (9 pages) doi:10.1115/1.2909608 History: Received May 04, 2007; Revised September 13, 2007; Published May 30, 2008

Presented here is a new molecular dynamics simulation approach for visualizing multidimensional acoustic wave-packet propagation in anisotropic materials. This approach allows examination of longitudinal wave propagation in a selected frequency range and may also be extended to track transverse motions. The obtained results agree with analytical predictions and experimental measurements of quasilongitudinal wave front propagation in the literature. Additionally, spectral analysis reveals minor levels of frequency redistribution as the wave packet propagates, which is indicative of phonon-phonon scattering. The present approach provides new capabilities for phonon-focusing studies and offers an alternative to existing experimental and Monte Carlo techniques used for these studies.

Copyright © 2008 by American Society of Mechanical Engineers
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Figure 1

Slowness surface for quasitransverse mode in (100) plane, plotted in k-space with sample wave and group velocity vectors

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Figure 2

Schematic depiction of nonuniform distribution of group velocity vectors resulting from uniform distribution of wave vectors

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Figure 3

Schematic of simulation domain

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Figure 4

Various boundary conditions investigated in the simulations

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Figure 5

Typical narrow wave-packet shape, ω=0.007rad∕fs

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Figure 6

Kinetic energy time history of wave packet (source signal), ω=0.007rad∕fs

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Figure 7

Frequency spectra of wave packet at various locations, ω=0.007rad∕fs

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Figure 8

12-6 argon dispersion relation for [100] direction, based on Barker (8)

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Figure 9

Frequency spectrum of high-amplitude plane wave arriving at image plane, ωinput=0.007rad∕fs

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Figure 10

Frequency spectrum for wave packet at center of image plane, scaled by radius, ω=0.00465rad∕fs

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Figure 11

Schematic depiction of signal passing through periodic boundary to reach image plane

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Figure 12

((a)–(d)) Kinetic energy contours—progressive time images of expanding longitudinal pulse

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Figure 13

Two-dimensional schematic of wave fronts intersecting image plane at successive times

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Figure 14

Kinetic energy contours on image planes, example images after signals have passed through periodic boundaries



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