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Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach
We introduce a novel approach to model heat transport in solids, based on the Green-Kubo theory of linear response. It naturally bridges the Boltzmann kinetic approach in crystals and the Allen-Feldman model in glasses, leveraging interatomic force constants and normal-mode linewidths computed at me...
Autores principales: | Isaeva, Leyla, Barbalinardo, Giuseppe, Donadio, Davide, Baroni, Stefano |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6710279/ https://www.ncbi.nlm.nih.gov/pubmed/31451703 http://dx.doi.org/10.1038/s41467-019-11572-4 |
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