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.…
Document Type: | Article |
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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 and partner institutions: | Fakultät Bauingenieurwesen / Institut für Strukturmechanik (ISM) |
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): | Creative Commons 4.0 - Namensnennung (CC BY 4.0) |