Nature Communications (Aug 2019)

Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach

  • Leyla Isaeva,
  • Giuseppe Barbalinardo,
  • Davide Donadio,
  • Stefano Baroni

DOI
https://doi.org/10.1038/s41467-019-11572-4
Journal volume & issue
Vol. 10, no. 1
pp. 1 – 6

Abstract

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Heat transport is a key process in designing functional materials, yet its calculations remain challenging due to large variance in material structures. Isaeva et al. introduce a unified approach counting the quantum effects, which is capable of modeling heat transport ranging from crystals to glasses.