Hydrodynamic finite-size scaling of the thermal conductivity in glasses

نویسندگان

چکیده

Abstract In the past few years, theory of thermal transport in amorphous solids has been substantially extended beyond Allen-Feldman model. The resulting formulation, based on Green-Kubo linear response or Wigner-transport equation, bridges this model for glasses with traditional Boltzmann kinetic approach crystals. computational effort required by these methods usually scales as cube number atoms, thus severely limiting size range computationally affordable glass models. Leveraging hydrodynamic arguments, we show how issue can be overcome through a simple formula to extrapolate reliable estimate bulk conductivity from finite models moderate size. We showcase our findings realistic paradigmatic glassy materials.

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ژورنال

عنوان ژورنال: npj computational materials

سال: 2023

ISSN: ['2057-3960']

DOI: https://doi.org/10.1038/s41524-023-01116-2