Modelling heat conduction in polycrystalline hexagonal boron-nitride films

@inproceedings{Mortazavi2015ModellingHC,
  title={Modelling heat conduction in polycrystalline hexagonal boron-nitride films},
  author={B. Mortazavi and Luiz Felipe Cavalcanti Pereira and Jin-Wu Jiang and Timon Rabczuk},
  booktitle={Scientific reports},
  year={2015}
}
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… CONTINUE READING