NDLI: Investigating the Effect of Stone-Wales Defect on Young Modulus of Armchair Single Wall Carbon Nanotube Using Molecular Dynamics Simulation

Content Provider	The American Society of Mechanical Engineers (ASME) Digital Collection
Author	Nejad, H. Rezaei Ghasemi, M. Shahabi, A. Langroudi, S. M. Mirnouri
Copyright Year	2010
Abstract	Effect of Stone-Wales percentage defect on effective elastic modulus of single-walled carbon nanotubes (SWCNT) is investigated. The Stone-Wales defect is a crystallographic defect that happens in nanotubes and is believed to affect the nanotubes mechanical properties. In order to calculate the mechanical properties of SWCNTs under axial tension, molecular dynamics (MD) simulations using the Morse potential is performed. An in house FORTRAN code is developed and utilized. The Young’s modulus of the perfect SWCNTs and those with different defect percentage is obtained using the classical elasticity theory. It is observed that for low percentage of defect (less than 8%) as the diameter increases the Young’s modulus of SWCNTs slightly increases. However, for high percentage of defect (more than 8%) as diameter increases the Young modulus clearly decreases.
Sponsorship	International
Starting Page	65
Ending Page	69
Page Count	5
File Format	PDF
ISBN	9780791849187
DOI	10.1115/ESDA2010-24296
e-ISBN	9780791838778
Volume Number	ASME 2010 10th Biennial Conference on Engineering Systems Design and Analysis, Volume 4
Conference Proceedings	ASME 2010 10th Biennial Conference on Engineering Systems Design and Analysis
Language	English
Publisher Date	2010-07-12
Publisher Place	Istanbul, Turkey
Access Restriction	Subscribed
Subject Keyword	Young's modulus Elastic moduli Simulation Nanotubes Mechanical properties Elasticity Molecular dynamics Tension Molecular dynamics simulation Engineering simulation Single-walled carbon nanotubes Fortran
Content Type	Text
Resource Type	Article

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