SIMULATIONS OF THE ELASTIC RESPONSE OF SINGLE-WALLED CARBON NANOTUBES

Authors
CORNWELL CF WILLE LT
Citation
Cf. Cornwell et Lt. Wille, SIMULATIONS OF THE ELASTIC RESPONSE OF SINGLE-WALLED CARBON NANOTUBES, Computational materials science, 10(1-4), 1998, pp. 42-45
Citations number
9
Categorie Soggetti
Material Science
Journal title
Computational materials science → ACNP
ISSN journal
09270256
Volume
10
Issue
1-4
Year of publication
1998
Pages
42 - 45
Database
ISI
SICI code
0927-0256(1998)10:1-4<42:SOTERO>2.0.ZU;2-#
Abstract
Using the Tersoff-Brenner potential we have performed molecular dynami cs simulations of nanotubes under axial strain, analyzing both compres sion and stretching forces. These large-scale simulations were carried out on a MasPar massively parallel computer. The elastic response is investigated and expressions for various elastic constants are derived from the simulations. Typical failure modes are also shown and discus sed. Copyright (C) 1998 Elsevier Science B.V.