Spectral mapping of heat transfer mechanisms at liquid-solid interfaces

Abstract

Thermal transport through liquid-solid interfaces plays an important role in many chemical and biological processes, and better understanding of liquid-solid energy transfer is expected to enable improving the efficiency of thermally driven applications. We determine the spectral distribution of thermal current at liquid-solid interfaces from nonequilibrium molecular dynamics, delivering a detailed picture of the contributions of different vibrational modes to liquid-solid energy transfer. Our results show that surface modes located at the Brillouin zone edge and polarized along the liquid-solid surface normal play a crucial role in liquid-solid energy transfer. Strong liquid-solid adhesion allows also for the coupling of in-plane polarized modes in the solid with the liquid, enhancing the heat transfer rate and enabling efficient energy transfer up to the cut-off frequency of the solid. Our results provide fundamental understanding of the energy transfer mechanisms in liquid-solid systems and enable detailed investigations of energy transfer between, e.g., water and organic molecules.

9 pages, 8 figures

References in corpus (4)

• Heat Transport in low-dimensional systems
• Role of anharmonic phonon scattering in the spectrally decomposed thermal conductance at planar interfaces
• Frequency-dependent phonon mean free path in carbon nanotubes from non-equilibrium molecular dynamics
• Thermal balance and quantum heat transport in nanostructures thermalized by local Langevin heat baths

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