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Modelling heat conduction in polycrystalline hexagonal boron-nitride films

  • We conducted extensive molecular dynamics simulations to investigate the thermal conductivity of polycrystalline hexagonal boron-nitride (h-BN) films. To this aim, we constructed large atomistic models of polycrystalline h-BN sheets with random and uniform grain configuration. By performing equilibrium molecular dynamics (EMD) simulations, we investigated the influence of the average grain size onWe conducted extensive molecular dynamics simulations to investigate the thermal conductivity of polycrystalline hexagonal boron-nitride (h-BN) films. To this aim, we constructed large atomistic models of polycrystalline h-BN sheets with random and uniform grain configuration. By performing equilibrium molecular dynamics (EMD) simulations, we investigated the influence of the average grain size on the thermal conductivity of polycrystalline h-BN films at various temperatures. Using the EMD results, we constructed finite element models of polycrystalline h-BN sheets to probe the thermal conductivity of samples with larger grain sizes. Our multiscale investigations not only provide a general viewpoint regarding the heat conduction in h-BN films but also propose that polycrystalline h-BN sheets present high thermal conductivity comparable to monocrystalline sheets.show moreshow less

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Metadaten
Document Type:Article
Author: Bohayra Mortazavi, Luiz Felipe C. Pereira, Jin-Wu Jiang, Timon RabczukORCiDGND
DOI (Cite-Link):https://doi.org/10.1038/srep13228Cite-Link
URN (Cite-Link):https://nbn-resolving.org/urn:nbn:de:gbv:wim2-20170425-31534Cite-Link
Parent Title (English):Scientific Reports
Language:English
Date of Publication (online):2017/04/25
Year of first Publication:2015
Release Date:2017/04/25
Publishing Institution:Bauhaus-Universität Weimar
Institutes:Fakultät Bauingenieurwesen / Institut für Strukturmechanik
GND Keyword:Wärmeleitfähigkeit; Bornitrid; Finite-Elemente-Methode
Dewey Decimal Classification:500 Naturwissenschaften und Mathematik / 530 Physik
BKL-Classification:50 Technik allgemein / 50.38 Technische Thermodynamik
54 Informatik / 54.80 Angewandte Informatik
Licence (German):License Logo Creative Commons 4.0 - Namensnennung (CC BY 4.0)