Length dependence of thermal conductivity ...
Type de document :
Compte-rendu et recension critique d'ouvrage
Titre :
Length dependence of thermal conductivity by approach-to-equilibrium molecular dynamics
Auteur(s) :
Zaoui, Hayat [Auteur]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Palla, Pier Luca [Auteur]
Physique - IEMN [PHYSIQUE - IEMN]
Cleri, Fabrizio [Auteur]
Physique - IEMN [PHYSIQUE - IEMN]
Martin, Évelyne [Auteur]
Physique - IEMN [PHYSIQUE - IEMN]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Palla, Pier Luca [Auteur]
Physique - IEMN [PHYSIQUE - IEMN]
Cleri, Fabrizio [Auteur]
Physique - IEMN [PHYSIQUE - IEMN]
Martin, Évelyne [Auteur]
Physique - IEMN [PHYSIQUE - IEMN]
Titre de la revue :
Physical Review B
Pagination :
054304
Éditeur :
American Physical Society
Date de publication :
2016
ISSN :
2469-9950
Discipline(s) HAL :
Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]
Résumé en anglais : [en]
The length dependence of thermal conductivity over more than two orders of magnitude has been systematically studied for a range of materials, interatomic potentials, and temperatures using the atomistic approach-to-equilibrium ...
Lire la suite >The length dependence of thermal conductivity over more than two orders of magnitude has been systematically studied for a range of materials, interatomic potentials, and temperatures using the atomistic approach-to-equilibrium molecular dynamics (AEMD) method. By comparing the values of conductivity obtained for a given supercell length and maximum phonon mean free path (MFP), we find that such values are strongly correlated, demonstrating that the AEMD calculation with a supercell of finite length actually probes the thermal conductivity corresponding to a maximum phonon MFP. As a consequence, the less pronounced length dependence usually observed for poorer thermal conductors, such as amorphous silica, is physically justified by their shorter average phonon MFP. Finally, we compare different analytical extrapolations of the conductivity to infinite length and demonstrate that the frequently used Matthiessen rule is not applicable in AEMD. An alternative extrapolation more suitable for transient-time, finite-supercell simulations is derived. This approximation scheme can also be used to classify the quality of different interatomic potential models with respect to their capability of predicting the experimental thermal conductivity.Lire moins >
Lire la suite >The length dependence of thermal conductivity over more than two orders of magnitude has been systematically studied for a range of materials, interatomic potentials, and temperatures using the atomistic approach-to-equilibrium molecular dynamics (AEMD) method. By comparing the values of conductivity obtained for a given supercell length and maximum phonon mean free path (MFP), we find that such values are strongly correlated, demonstrating that the AEMD calculation with a supercell of finite length actually probes the thermal conductivity corresponding to a maximum phonon MFP. As a consequence, the less pronounced length dependence usually observed for poorer thermal conductors, such as amorphous silica, is physically justified by their shorter average phonon MFP. Finally, we compare different analytical extrapolations of the conductivity to infinite length and demonstrate that the frequently used Matthiessen rule is not applicable in AEMD. An alternative extrapolation more suitable for transient-time, finite-supercell simulations is derived. This approximation scheme can also be used to classify the quality of different interatomic potential models with respect to their capability of predicting the experimental thermal conductivity.Lire moins >
Langue :
Anglais
Vulgarisation :
Non
Projet ANR :
Source :
Fichiers
- http://arxiv.org/pdf/1606.05437
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- https://hal.archives-ouvertes.fr/hal-03408271/document
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- https://hal.archives-ouvertes.fr/hal-03408271/document
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- Zaoui_2016_PhysRevB.94.054304.pdf
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- 1606.05437
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