@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}
}
@article{ZhaoJiangWangetal.,
  author    = {Zhao, Jiyun and Jiang, Jin-Wu and Wang, L. and Guo, Wanlin and Rabczuk, Timon},
  title     = {Coarse-grained potentials of single-walled carbon nanotubes},
  series = {Journal of the Mechanics and Physics of Solids},
  journal   = {Journal of the Mechanics and Physics of Solids},
  abstract  = {Coarse-grained potentials of single-walled carbon nanotubes},
  subject      = {Angewandte Mathematik},
  language  = {en}
}
@article{ZhaoJiangJiaetal.,
  author    = {Zhao, Jun-Hua and Jiang, Jin-Wu and Jia, Yue and Guo, Wanlin and Rabczuk, Timon},
  title     = {A theoretical analysis of cohesive energy between carbon nanotubes, graphene and substrates},
  series = {Carbon},
  journal   = {Carbon},
  doi       = {10.1016/j.carbon.2013.01.041},
  pages     = {108 -- 119},
  abstract  = {Explicit solutions for the cohesive energy between carbon nanotubes, graphene and substrates are obtained through continuum modeling of the van der Waals interaction between them. The dependence of the cohesive energy on their size, spacing and crossing angles is analyzed. Checking against full atom molecular dynamics calculations and available experimental results shows that the continuum solution has high accuracy. The equilibrium distances between the nanotubes, graphene and substrates with minimum cohesive energy are also provided explicitly. The obtained analytical solution should be of great help for understanding the interaction between the nanostructures and substrates, and designing composites and nanoelectromechanical systems.},
  subject      = {Angewandte Mathematik},
  language  = {en}
}
@article{ZhaoKouJiangetal.,
  author    = {Zhao, Jun-Hua and Kou, Liangzhi and Jiang, Jin-Wu and Rabczuk, Timon},
  title     = {Tension-induced phase transition of single-layer molybdenum disulphide (MoS2) at low temperatures},
  series = {Nanotechnology},
  journal   = {Nanotechnology},
  doi       = {10.1088/0957-4484/25/29/295701},
  abstract  = {Tension-induced phase transition of single-layer molybdenum disulphide (MoS2) at low temperatures},
  subject      = {Angewandte Mathematik},
  language  = {en}
}
@article{JiangWangRabczuk,
  author    = {Jiang, Jin-Wu and Wang, Bing-Shen and Rabczuk, Timon},
  title     = {Phonon modes in single-walled molybdenum disulphide nanotubes: lattice dynamics calculation and molecular dynamics simulation},
  series = {Nanotechnology},
  journal   = {Nanotechnology},
  abstract  = {Phonon modes in single-walled molybdenum disulphide nanotubes: lattice dynamics calculation and molecular dynamics simulation},
  subject      = {Angewandte Mathematik},
  language  = {en}
}
@article{JiangParkRabczuk,
  author    = {Jiang, Jin-Wu and Park, Harold S. and Rabczuk, Timon},
  title     = {MoS2 nanoresonators: intrinsically better than graphene?},
  series = {Nanoscale},
  journal   = {Nanoscale},
  pages     = {3618 -- 3625},
  abstract  = {MoS2 nanoresonators: intrinsically better than graphene?},
  subject      = {Angewandte Mathematik},
  language  = {en}
}
@article{ZhaoWeiFanetal.,
  author    = {Zhao, Jun-Hua and Wei, Ning and Fan, Z. and Jiang, Jin-Wu and Rabczuk, Timon},
  title     = {Mechanical properties of three types of carbon allotropes},
  series = {Nanotechnology},
  journal   = {Nanotechnology},
  abstract  = {Mechanical properties of three types of carbon allotropes},
  subject      = {Angewandte Mathematik},
  language  = {en}
}
@article{JiangWangRabczuk,
  author    = {Jiang, Jin-Wu and Wang, Bing-Shen and Rabczuk, Timon},
  title     = {Why twisting angles are diverse in graphene Moir'e patterns?},
  series = {Journal of Applied Physics},
  journal   = {Journal of Applied Physics},
  abstract  = {Why twisting angles are diverse in graphene Moir'e patterns?},
  subject      = {Angewandte Mathematik},
  language  = {en}
}