Applied Physics A

, 123:283 | Cite as

Prediction of mechanical properties for hexagonal boron nitride nanosheets using molecular mechanics model

  • Toshiaki Natsuki
  • Jun Natsuki


Mechanical behaviors of nanomaterials are not easy to be evaluated in the laboratory because of their extremely small size and difficulty controlling. Thus, a suitable model for the estimation of the mechanical properties for nanomaterials becomes very important. In this study, the elastic properties of boron nitride (BN) nanosheets, including the elastic modulus, the shear modulus, and the Poisson’s ratio, are predicted using a molecular mechanics model. The molecular mechanics force filed is established to directly incorporate the Morse potential function into the constitutive model of nanostructures. According to the molecular mechanics model, the chirality effect of hexagonal BN nanosheets on the elastic modulus is investigated through a closed-form solution. The simulated result shows that BN nanosheets exhibit an isotropic elastic property. The present analysis yields a set of very simple formulas and is able to be served as a good approximation on the mechanical properties for the BN nanosheets.


Boron Nitride Representative Elementary Volume Graphene Nanosheets Boron Nitride Nanotubes Molecular Mechanic Model 
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Copyright information

© Springer-Verlag Berlin Heidelberg 2017

Authors and Affiliations

  1. 1.Faculty of Textile Science and TechnologyShinshu UniversityUedaJapan
  2. 2.Institute of Carbon Science and TechnologyShinshu UniversityNaganoJapan

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