Buckling of ZnS-filled single-walled carbon nanotubes - The influence of aspect ratio

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abstract

The mechanical response of single-walled carbon nanotubes (SWCNT) filled with crystalline zinc sulphide (ZnS) nanowires under uniaxial compression is studied using classical molecular dynamics. These simulations were used to analyse the behaviour of SWCNT, with and without ZnS filling, in terms of critical force and critical strain. Force versus strain curves have been computed for hollow and filled systems, the latter clearly showing an improvement of the mechanical behaviour caused by the ZnS nanowire. The same simulations were repeated for a large range of dimensions in order to evaluate the influence of the aspect ratio on the mechanical response of the tubes. (C) 2014 Elsevier Ltd. All rights reserved.

keywords

MOLECULAR-DYNAMICS; COMBINING RULES; DRUG-DELIVERY; MECHANICS; STABILITY; CANCER; FORCE; STATE

subject category

Chemistry; Materials Science

authors

Monteiro, AO; Costa, PMFJ; Cachim, PB; Holec, D

our authors

no photo

Paulo Barreto Cachim

Invited Full Professor
foto Pedro Miguel Ferreira Joaquim da Costa

Pedro Miguel Ferreira Joaquim da Costa

Researcher

Groups

Projects

Nanomechanics of 1D materials (PTDC/EME-PME/112073/2009)
Centre for Research in Ceramics and Composite Materials - CICECO (LA0011: 2011-2012) (PEst-C/CTM/LA0011/2011)

acknowledgements

We acknowledge financial support from the COMPETE-FEDER program and FCT to the projects PTDC/EME-PME/112073/2009 and PEst-C/CTM/LA0011/2011. This work was partially funded by KAUST. AM is grateful to the Da Vinci program for an internship scholarship. We thank the reviewers for their constructive suggestions.

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Publication Details

type
Journal Article
year
2014
journal
CARBON
volume
79
publisher
PERGAMON-ELSEVIER SCIENCE LTD
issn
Aug-23
digital object identifier
10.1016/j.carbon.2014.08.011
web of science article identifier
WOS:000342657100055

Journal Metrics (JCR 2019)

Journal Impact Factor
8.821
Journal Impact Factor (5 yrs)
7.984
category normalized journal percentile
86.965

Citations

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