Composition-dependent buckling behaviour of hybrid boron nitride-carbon nanotubes

The buckling of hybrid boron nitride-carbon nanotubes (BN-CNTs) with various BN compositions and locations of the BN domain is investigated using molecular dynamics. We find that BN-CNTs with large BN composition (>38%) only undergo local shell-like buckling in their BN domain. Although similar l...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2015-05, Vol.17 (19), p.12796-1283
Main Authors: Zhang, Jin, Meguid, S. A
Format: Article
Language:English
Subjects:
Boron
Boron nitride
Buckling
Channels
Molecular dynamics
Nanotubes
Strain
Valves
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Summary:The buckling of hybrid boron nitride-carbon nanotubes (BN-CNTs) with various BN compositions and locations of the BN domain is investigated using molecular dynamics. We find that BN-CNTs with large BN composition (>38%) only undergo local shell-like buckling in their BN domain. Although similar local shell-like buckling can occur in BN-CNTs with a relatively small BN composition, it can transfer to the global column-like buckling of the whole BN-CNT with increasing strains. The critical strains for local shell-like and global column-like buckling decrease with increasing BN composition. In addition, critical strains and buckling modes of the global column-like buckling of BN-CNTs also strongly depend on the location of their BN domain. As a possible application of the buckling of BN-CNTs, we demonstrate that the BN-CNT can serve as a water channel integrated with a local natural valve using the local buckling of its BN domain. This paper studies the buckling of hybrid BN-CNTs and proposes some applications of BN-CNTs based on the results.
ISSN:1463-9076
1463-9084
DOI:10.1039/c5cp00914f