Skip to main content

Determination of Elastic Properties of Graphene and Carbon-Nanotubes Using Brenner Potential: The Maximum Attainable Numerical Precision

Buy Article:

$113.00 plus tax (Refund Policy)


This paper explores the maximum attainable numerical precision in the computation of stiffness of graphene sheet and carbon nanotubes (CNTs) using Brenner potential and Cauchy-Born rule. The extent to which the round-off and truncation errors can affect the precision of computed stiffness values is demonstrated for a finite graphene sheet and CNT. Small displacement method, local potential-fit method, and finite difference method are employed to determine the stiffness. The optimum trial displacement value to be used in these methods are determined. The corresponding maximum attainable precision in the computed stiffness is reported. Instability of the small displacement method that could result from the use of non-equilibrium configuration of graphene/CNT is highlighted. A method to circumvent this instability is proposed.


Document Type: Research Article


Publication date: June 1, 2006

More about this publication?
  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
  • Editorial Board
  • Information for Authors
  • Submit a Paper
  • Subscribe to this Title
  • Terms & Conditions
  • Ingenta Connect is not responsible for the content or availability of external websites

Access Key

Free Content
Free content
New Content
New content
Open Access Content
Open access content
Partial Open Access Content
Partial Open access content
Subscribed Content
Subscribed content
Free Trial Content
Free trial content
Cookie Policy
Cookie Policy
Ingenta Connect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more