A Coherent Phonon Pulse Model for Transient Phonon Thermal Transport
In this work, we present a novel heat source model, the coherent phonon pulse (CPP), composed of spatiotemporal Gaussian wave packets to mimic the coherent excitation of a non-equilibrium phonon population by ultrashort laser techniques, for the study of transient phonon thermal transport. Through molecular dynamic simulations of phonon transport in bicrystalline silicon-nanowires containing Σ3 and Σ19 grain-boundaries (GBs), we demonstrate that the new model facilitates not only a quantitative measurement of phonon-interface scattering, but also a mechanistic understanding of the highly non-equilibrium process of phonon transport with the coherent wave nature being preserved.
X. Chen et al., "A Coherent Phonon Pulse Model for Transient Phonon Thermal Transport," Computer Physics Communications, vol. 195, pp. 112-116, Elsevier, Oct 2015.
The definitive version is available at http://dx.doi.org/10.1016/j.cpc.2015.05.008
Center for High Performance Computing Research
Keywords and Phrases
Coherent Scattering; Grain Boundaries; Laser Excitation; Molecular Dynamics; Nanowires; Ultrashort Pulses; Coherent Excitations; Coherent Phonons; Computational Model; Gaussian Wave Packets; Non-Equilibrium Process; Phonon Thermal Transport; Phonon Transport; Quantitative Measurement; Phonons; Transient Phonon Transport; Ultrashort Laser Pulse
International Standard Serial Number (ISSN)
Article - Journal
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