A coherent phonon pulse model for transient phonon thermal transport

X Chen and A Chernatynskiy and LM Xiong and YP Chen, COMPUTER PHYSICS COMMUNICATIONS, 195, 112-116 (2015).

DOI: 10.1016/j.cpc.2015.05.008

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 Sigma 3 and Sigma 19 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. (C) 2015 Elsevier B.V. All rights reserved.

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