Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 31, Issue 3-4, Pages 237-246Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.commatsci.2004.03.004
Keywords
single-wall boron-; aluminum- and gallium-nitride nanotubes; atomistic simulations; Tersoff-type potential
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We have investigated the structures, the energetic and the nanomechanics of the single-wall boron-, aluminum- and gallium-nitride nanotubes using atomistic simulations based on the Tersoff-type potential. The Tersoff-type potential for the III-nitride materials effectively described the properties of the III-nitride nanotubes. The nanomechanics of boron-, aluminum- and gallium-nanotubes under the compressive loadings has been investigated, and Young's moduli were calculated. (C) 2004 Elsevier B.V. All rights reserved.
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