Molecular dynamics simulations of thermal conductivity and spectral phonon relaxation time in suspended and supported graphene
作者： Bo Qiu , Xiulin Ruan
DOI: 10.1063/1.4712041
关键词: Scattering 、 Amorphous solid 、 Molecular dynamics 、 Condensed matter physics 、 Atmospheric temperature range 、 Phonon 、 Graphene 、 Substrate (electronics) 、 Thermal conductivity 、 Physics
摘要: We perform molecular dynamics (MD) simulations with phonon spectral analysis aiming at understanding the two dimensional (2D) thermal transport in suspended and supported graphene. Within framework of equilibrium MD simulations, we energy density (SED) to obtain lifetime individual modes. The per-mode contribution conductivity is then calculated lattice temperature range 300-650 K. In contrast prior studies, our results suggest that from out-of-plane acoustic (or ZA) branch around 25-30% single-layer graphene (SLG) room temperature. found reduce when SLG put on amorphous SiO2 substrate. Such reduction attributed strengthened scattering all modes presence Among them, ZA are mostly affected their reduced 15%. As a result, dominated by in-plane SLG.
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