Modelling heat conduction in polycrystalline hexagonal boron-nitride films

Bohayra Mortazavi, Luiz Felipe C Pereira, Jin Wu Jiang, Timon Rabczuk

Research output: Contribution to journalArticle

44 Citations (Scopus)

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.

Original languageEnglish
Article number13228
JournalScientific Reports
Volume5
DOIs
Publication statusPublished - 2015 Aug 19

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boron nitrides
conductive heat transfer
thermal conductivity
molecular dynamics
grain size
simulation
probes
configurations

ASJC Scopus subject areas

  • General

Cite this

Mortazavi, B., Pereira, L. F. C., Jiang, J. W., & Rabczuk, T. (2015). Modelling heat conduction in polycrystalline hexagonal boron-nitride films. Scientific Reports, 5, [13228]. https://doi.org/10.1038/srep13228

Modelling heat conduction in polycrystalline hexagonal boron-nitride films. / Mortazavi, Bohayra; Pereira, Luiz Felipe C; Jiang, Jin Wu; Rabczuk, Timon.

In: Scientific Reports, Vol. 5, 13228, 19.08.2015.

Research output: Contribution to journalArticle

Mortazavi, Bohayra ; Pereira, Luiz Felipe C ; Jiang, Jin Wu ; Rabczuk, Timon. / Modelling heat conduction in polycrystalline hexagonal boron-nitride films. In: Scientific Reports. 2015 ; Vol. 5.
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