@article{MortazaviPereiraJiangetal.,
  author    = {Mortazavi, Bohayra and Pereira, Luiz Felipe C. and Jiang, Jin-Wu and Rabczuk, Timon},
  title     = {Modelling heat conduction in polycrystalline hexagonal boron-nitride films},
  series = {Scientific Reports},
  journal   = {Scientific Reports},
  doi       = {10.1038/srep13228},
  url       = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20170425-31534},
  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.},
  subject      = {W{\"a}rmeleitf{\"a}higkeit},
  language  = {en}
}
@article{MortazaviCunibertiRabczuk,
  author    = {Mortazavi, Bohayra and Cuniberti, G. and Rabczuk, Timon},
  title     = {Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study},
  series = {Computational Materials Science},
  journal   = {Computational Materials Science},
  pages     = {285 -- 289},
  abstract  = {Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study},
  subject      = {Angewandte Mathematik},
  language  = {en}
}
@article{MortazaviRabczuk,
  author    = {Mortazavi, Bohayra and Rabczuk, Timon},
  title     = {Multiscale modeling of heat conduction in graphene laminates},
  series = {Carbon},
  journal   = {Carbon},
  pages     = {1 -- 7},
  abstract  = {Multiscale modeling of heat conduction in graphene laminates},
  subject      = {Angewandte Mathematik},
  language  = {en}
}