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NASA Ames Research Center
This is an abstract for a talk to be given at the Fifth Foresight Conference on Molecular Nanotechnology.
Carbon nanotubes are expected to play a significant role in the design
and manufacture of many nano-mechanical and nano-electronic devices of
future. It is important, therefore, that atomic level elastomechanical
response properties of both single and multiwall nanotubes are
investigated in detail. Classical molecular dynamics simulations
employing Brenner's reactive potential with long range van der Waals
interactions have been used in mechanistic response studies of carbon
nanotubes to external strains. The studies of single and multiwalled
carbon nanotubes under compressive strains show the instabilities
beyond elastic response. Due to inclusion of non-bonded long range
interactions, the simulations also show the redistribution of strain
and strain energy from sideways bucklng to the formation of highly
localized strained kink sites. Bond rearrangements occur at the kink
sites, leading to formation of topological defects, preventing the
tube from relaxing fully back to it's original configuration.
Elastomechanic response behavior of single and multiwall carbon
nanotubes to externally applied compressive, tensile and bending
strains is simulated and studied in detail. We will describe the
results and discuss their implication towards the stability of any
molecular mechanical structure made of carbon nanotubes.
NASA Ames Research Center, M/S T27A-1, Moffett Field, CA 94035-1000, ph: 415-604-3963, fax: 415-966-8669, email: email@example.com
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