@article{JiangRabczukPark,
  author    = {Jiang, Jin-Wu and Rabczuk, Timon and Park, Harold S.},
  title     = {A Stillinger-Weber Potential for Single-Layer Black Phosphorus, and the Importance of Cross-Pucker Interactions for Negative Poisson's Ratio and Edge Stress-Induced Bending},
  series = {Nanoscale},
  journal   = {Nanoscale},
  doi       = {10.1039/C4NR07341J},
  abstract  = {The distinguishing structural feature of single-layered black phosphorus is its puckered structure, which leads to many novel physical properties. In this work, we first present a new parameterization of the Stillinger-Weber potential for single-layered black phosphorus. In doing so, we reveal the importance of a cross-pucker interaction term in capturing its unique mechanical properties, such as a negative Poisson's ratio. In particular, we show that the cross-pucker interaction enables the pucker to act as a re-entrant hinge, which expands in the lateral direction when it is stretched in the longitudinal direction. As a consequence, single-layered black phosphorus has a negative Poisson's ratio in the direction perpendicular to the atomic plane. As an additional demonstration of the impact of the cross-pucker interaction, we show that it is also the key factor that enables capturing the edge stress-induced bending of single-layered black phosphorus that has been reported in ab initio calculations.},
  subject      = {Angewandte Mathematik},
  language  = {en}
}
@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{ArashRabczukJiang,
  author    = {Arash, Behrouz and Rabczuk, Timon and Jiang, Jin-Wu},
  title     = {Nanoresonators and their applications: a state of the art review},
  series = {Applied Physics Reviews},
  journal   = {Applied Physics Reviews},
  abstract  = {Nanoresonators and their applications: a state of the art review},
  subject      = {Angewandte Mathematik},
  language  = {en}
}