Buckling behavior of nanotubes from diamondene

Cai, K, Wang, L and Xie, M 2018, 'Buckling behavior of nanotubes from diamondene', Materials and Design, vol. 149, pp. 34-42.


Document type: Journal Article
Collection: Journal Articles

Title Buckling behavior of nanotubes from diamondene
Author(s) Cai, K
Wang, L
Xie, M
Year 2018
Journal name Materials and Design
Volume number 149
Start page 34
End page 42
Total pages 9
Publisher Elsevier
Abstract Under high pressure, two layers of graphene may have phase transition. After transition, a new two-dimensional material called as diamondene can be obtained, which recently has been verified by Raman spectra. As sp2 & sp3 composites, diamondene possesses both excellent mechanical properties and semi-conductivity. Similar to the carbon nanotube (CNT) from tailored graphene, a nanotube can also be made from a diamondene ribbon. In this study, the mechanical stability of diamondene nanotubes (DNTs) is investigated by theoretical analysis after molecular dynamics calculations. Results demonstrate that the minimal radius of a DNT without broken bonds is far greater than that of a single-walled CNT. Comparing to the double-walled CNTs with the same length and average diameter, DNTs behave more stable under uniaxial compression. Before collapse due to breakage of sp3sp3 bond, a DNT has only one buckling mode. Under axial torsion, the wall of a DNT buckles at small torsion deformation. Between two edges of the nanotube, the shell becomes a warped ribbon at large torsion angle. During torsion, the number of broken bonds in the outer layer of DNT is far greater than that of the inner layer, and both numbers grow with the torsion angle. Few inter-layer bonds break due to the synchronous rotation of two layers in torsion.
Subject Structural Engineering
Keyword(s) Carbon nanotube
Diamondene
Mechanical stability
Molecular dynamics
DOI - identifier 10.1016/j.matdes.2018.03.052
Copyright notice © 2018 Elsevier Ltd
ISSN 0264-1275
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