Authors: Trotter, Heather; Phillips, Roshenda; Ni, Boris; Hu, Yanhong; Sinnott, Susan B.; Mikulski, Paul T.; Harrison, Judith A.

Source: Journal of Nanoscience and Nanotechnology, Volume 5, Number 4, April 2005 , pp. 536-541(6)

Publisher: American Scientific Publishers

Abstract:

The compressibility of filled and empty (10, 10) carbon nanotubes (CNTs) is examined using classical molecular dynamics simulations. The filled nanotubes contain C₆₀, CH₄, Ne, n-C₄ H₁₀, and n-C₄ H₇ molecules that arecovalently cross-linked to the inner CNT walls. In addition, nanotubes filled with either a hydrogen-terminated carbon nanowire or a carbon nanotube of comparable diameter is also considered. The forces on the atoms are calculated using a many-body reactive empirical bond-order potential andthe adaptive intermolecular reactive empirical bond-order potential for hydrocarbons. The butane-filled system shows a unique yielding behavior prior to buckling that has not been observed previously. Cross-linking the molecules to the inner CNT walls is not predicted to affect the stiffnessof the filled nanotube systems and removes the yielding response. The mechanical response of the nanowire filled CNT is remarkably similar to the response of the similarly sized multiwalled CNT.

Keywords: CARBON NANOTUBES; FILLING; COMPRESSION; BUCKLING FORCE; MECHANICAL PROPERTIES

Document Type: Research article

DOI: http://dx.doi.org/10.1166/jnn.2005.081

Publication date: 2005-04-01

More about this publication?

• Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
• Editorial Board
• Information for Authors
• Subscribe to this Title
• Terms & Conditions
• ingentaconnect is not responsible for the content or availability of external websites

Related content

• In this: publication
• By this: publisher
• In this Subject: Technology
• By this author: Trotter, Heather ;  Phillips, Roshenda ;  Ni, Boris ;  Hu, Yanhong ;  Sinnott, Susan B. ;  Mikulski, Paul T. ;  Harrison, Judith A.

Website © Publishing Technology. Article copyright remains with the publisher, society or author(s) as specified within the article.

• Terms and conditions
• Privacy policy
• Information for advertisers