Journal
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
Volume 44, Issue 9, Pages 1846-1852Publisher
ELSEVIER
DOI: 10.1016/j.physe.2012.05.007
Keywords
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Funding
- FNR of Luxembourg via the AFR [PHD-09-016]
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In this paper, we employed classical molecular dynamics simulations using the Tersoff potential for the evaluation of thermal conductivity and tensile response of single-layer boron-nitride sheets (SONS). By carrying out uniaxial tension simulations, the elastic moduli of SBNS structures are predicted to be close to those of boron-nitride nanotubes in a range between 0.8 and 0.85 TPa for different chirality directions. Performing non-equilibrium molecular dynamics simulations, the thermal conductivity of SBNS is predicted to be around 80 W/m-K, which is shown to be independent of chirality directions. (C) 2012 Elsevier B.V. All rights reserved.
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