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Theoretical elastic properties of single‐walled carbon nanotubes
Author(s) -
Alford J. T.,
Landis B. A.,
Mintmire J. W.
Publication year - 2005
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.20660
Subject(s) - carbon nanotube , materials science , graphite , mechanical properties of carbon nanotubes , nanotechnology , carbon fibers , composite material , computational chemistry , chemistry , nanotube , composite number
Carbon fiber nanotubes are a relatively new material with amazing physical and electrical properties. We report the results of the first‐principles calculations for the elastic properties of several single‐walled carbon nanotubes (SWNT) with diameters of 4–17 Å. We show that the torsional and axial strain potential energy curves can be well described in terms of the experimental elastic constants of bulk graphite. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005