Softening to hardening of stretched diamondene nanotubes

Wang, L, Cai, K, Wei, S and Xie, M 2018, 'Softening to hardening of stretched diamondene nanotubes', Physical Chemistry Chemical Physics, vol. 20, no. 32, pp. 21136-21143.


Document type: Journal Article
Collection: Journal Articles

Title Softening to hardening of stretched diamondene nanotubes
Author(s) Wang, L
Cai, K
Wei, S
Xie, M
Year 2018
Journal name Physical Chemistry Chemical Physics
Volume number 20
Issue number 32
Start page 21136
End page 21143
Total pages 8
Publisher Royal Society of Chemistry
Abstract Diamondene, a carbon nanomaterial containing both sp2 and sp3 carbon atoms, is obtained by compressing two or more layers of graphene. By curving rectangular diamondene and matching the unsaturated C-C bonds on the two unbent edges, a nanotube is built. We build two diamondene nanotubes (DNTs) with different radii and test their strengths under uniaxial tension. From the stress-strain curves, we discover that DNTs exhibit softening followed by hardening. The mechanism is as follows: the bond lengths and bond angles impart different stiffnesses to the tube at different axial strains. Molecular dynamics simulations demonstrate that the feature of the softening-hardening process is independent of either the tube radii or the system temperature. The critical strain for the tensile strength of a DNT becomes lower at a higher temperature. This is caused by thermal vibration of the atoms in the tubes. At the same temperature, for a DNT with a larger radius, the value of critical strain is higher. These properties will be beneficial for the potential applications of DNTs in nanodevices.
Subject Construction Materials
DOI - identifier 10.1039/c8cp03243b
Copyright notice This journal is © the Owner Societies 2018
ISSN 1463-9076
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