Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 69, Issue -, Pages 22-28Publisher
ELSEVIER
DOI: 10.1016/j.commatsci.2012.11.014
Keywords
Copper-filled carbon nanotubes; Molecular dynamics simulations; Soft-to-hard transition; High radial strength
Categories
Funding
- National Basic Research Program of China [2012CB825702]
- National Natural Science Foundation of China [51271100]
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Copper-filled carbon nanotubes (Cu@CNTs) have been extensively reported to possess remarkable axial mechanical properties, but little is known about their radial mechanical properties. In this study, we perform the molecular dynamics (MD) simulations to systematically investigate the radial compression of Cu@CNTs. The results indicate that Cu@CNTs possess very high radial strength. The force-strain curves show several soft-to-hard transitions during the compression. The radial strengths of the empty CNTs and copper-filled double-walled carbon nanotubes (Cu@DWCNTs) have been calculated for comparison. Effects of tube length, diameter, chirality, and the number of Cu atoms on the radial mechanical properties are also discussed. This study may provide motivation to explore new applications of metal-filled CNTs. (C) 2012 Elsevier B. V. All rights reserved.
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