Abstract:
: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 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.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Mortazavi B,Pereira LFC,Jiang JW,Rabczuk Tdoi
10.1038/srep13228subject
Has Abstractpub_date
2015-08-19 00:00:00pages
13228issn
2045-2322pii
srep13228journal_volume
5pub_type
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