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