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...

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Detalles Bibliográficos
Autores principales: Isaeva, Leyla, Barbalinardo, Giuseppe, Donadio, Davide, Baroni, Stefano
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
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

Internet

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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