Analysis of C60 insertion into single wall carbon nanotube by molecular dynamics simulation

Takafumi Ishii, Keivan Esfarjani, Yuichi Hashi, Yoshiyuki Kawazoe, Sumio Iijima

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Classical molecular dynamics is used to simulate the insertion of C60 into a (10, 10) single wall nano tube (SWNT). We propose that the insertion process occurs through the open end of the tube. After insertion, the energy exchange between the C60 and the nanotube causes the kinetic energy of the former to decrease as it moves inside the tube. This kinetic energy loss is due to a "friction force" which we calculated for several insertion conditions. The binding energy of the C60 with the SWNT is due to Van der Waals interaction, and is found to be about 3.5 eV.

Original languageEnglish
Title of host publicationNanonetwork Materials
Subtitle of host publicationFullerenes, Nanotubes, and Related Systems
EditorsTsuneya Ando, Yoshihiro Iwasawa, Koichi Kikuchi, Yahachi Saito, Susumu Saito, Mototada Kobayashi
PublisherAmerican Institute of Physics Inc.
Pages237-240
Number of pages4
ISBN (Electronic)0735400326, 9780735400320
DOIs
Publication statusPublished - 2001 Oct 16
EventInternational Symposium on Nanonetwork Materials: Fullerenes, Nanotubes, and Related Systems 2001 - Kamakura, Japan
Duration: 2001 Jan 152001 Jan 18

Publication series

NameAIP Conference Proceedings
Volume590
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

OtherInternational Symposium on Nanonetwork Materials: Fullerenes, Nanotubes, and Related Systems 2001
CountryJapan
CityKamakura
Period01/1/1501/1/18

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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