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research article

Unearthing the foundational role of anharmonicity in heat transport in glasses

Fiorentino, Alfredo
•
Drigo, Enrico
•
Baroni, Stefano
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June 10, 2024
Physical Review B

The time-honored Allen -Feldman theory of heat transport in glasses is generally assumed to predict a finite value for the thermal conductivity, even if it neglects the anharmonic broadening of vibrational normal modes. We demonstrate that the harmonic approximation predicts that the bulk lattice thermal conductivity of harmonic solids inevitably diverges at any temperature, irrespective of configurational disorder, and that its ability to represent the heat -transport properties observed experimentally in most glasses is implicitly due to finite -size effects. Our theoretical analysis is thoroughly benchmarked against careful numerical simulations. Our findings thus reveal that a proper account of anharmonic effects is indispensable to predict a finite value for the bulk thermal conductivity in any solid material, be it crystalline or glassy.

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Type
research article
DOI
10.1103/PhysRevB.109.224202
Web of Science ID

WOS:001247510700005

Author(s)
Fiorentino, Alfredo
Drigo, Enrico
Baroni, Stefano
Pegolo, Paolo  
Date Issued

2024-06-10

Publisher

Amer Physical Soc

Published in
Physical Review B
Volume

109

Issue

22

Article Number

224202

Subjects

Technology

•

Physical Sciences

•

Thermal-Conductivity

•

Model

•

Transition

•

Vibrations

•

Crystals

•

Solids

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
COSMO  
FunderGrant Number

European Commission

101093374

Italian MUR, through the PRIN project ARES

2022W2BPCK

Italian National Centre for HPC, Big Data, and Quantum Computing

CN00000013

Available on Infoscience
July 3, 2024
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/209066
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