Buckling analysis of boron nitride nanotube with and without defect using molecular dynamic simulation

H Zeighampour and YT Beni, MOLECULAR SIMULATION, 46, 279-288 (2020).

DOI: 10.1080/08927022.2019.1697817

In this paper, axial buckling of boron nitride nanotubes (BNNTs) has been investigated. In order to achieve this purpose, the molecular dynamics was adopted and the potential between the atoms of boron and nitrogen was considered as Tersoff type. For scrutinising the influence of chirality on the critical loads, zigzag, armchair and chiral BNNTs were utilised. The buckling of BNNTs was studied based on three types of multiple mono-atomic vacancy defects. The findings of the present study revealed that the impact of length, diameter and defect of BNNTs on critical loads was significant. Further, it was found that with increasing the length of BNNT the critical loads were decreased and also the critical loads were higher in zigzag BNNTs compared with armchair ones.

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