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Phys. Rev. B 73, 085402 (2006) [6 pages]

Collapse of double-walled carbon nanotube bundles under hydrostatic pressure

Vikram Gadagkar,1 Prabal K. Maiti,2 Yves Lansac,3 A. Jagota,4 and A. K. Sood1
1Department of Physics, Indian Institute of Science, Bangalore 560012, India
2Centre for Condensed Matter Theory, Department of Physics, Indian Institute of Science, Bangalore 560012, India
3LEMA, UMR 6157 CNRS-CEA, Université François Rabelais, 37200 Tours, France
4Department of Chemical Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, USA

Received 28 September 2005; revised 28 November 2005; published 2 February 2006

We use classical molecular dynamics simulations to study the collapse of single (SWNT) and double-walled (DWNT) carbon nanotube bundles under hydrostatic pressure. The collapse pressure (pc) varies as 1/R3, where R is the SWNT radius or the DWNT effective radius. The bundles show ~30% hysteresis and the hexagonally close packed lattice is completely restored on decompression. The pc of DWNT is found to be close to the sum of its values for the inner and the outer tubes considered separately as SWNT, demonstrating that the inner tube supports the outer tube and that the effective bending stiffness of DWNT, DDWNT~2DSWNT. We use an elastica formulation to derive the scaling and the collapse behavior of DWNT and multiwalled carbon nanotubes.

©2006 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevB.73.085402
DOI: 10.1103/PhysRevB.73.085402
PACS: 81.07.De; 02.70.Ns; 62.20.Dc; 62.50.+p
  • 81.07.De
    Nanotubes: fabrication and characterization
  • 02.70.Ns
    Molecular dynamics and particle methods
  • 62.20.Dc
    Elasticity, elastic constants
  • 62.50.+p
    High-pressure and shock wave effects in solids and liquids
  • YEAR: 2006
KEYWORDS: carbon nanotubes, molecular dynamics method, bending, elasticity, hysteresis

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