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Title: Molecular dynamics study of electron-irradiation effects in single-walled carbon nanotubes

Abstract

Molecular dynamics studies are carried out to investigate electron-irradiation effects in single-walled carbon nanotubes. We have proposed a simulation model which includes the interaction between a high-energy incident electron and a carbon atom, based on Monte Carlo method using the elastic-scattering cross section. The atomic level behavior of a single-walled carbon nanotube under electron irradiation is demonstrated in nanosecond time scale. The incident electron energy, tube diameter, and tube temperature dependences of electron-irradiation effects are studied with the simulation.

Authors:
; ; ; ; ;  [1];  [1];  [2]
  1. Department of Physics and Electronics, Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan)
  2. (Japan)
Publication Date:
OSTI Identifier:
21045880
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics; Journal Volume: 75; Journal Issue: 20; Other Information: DOI: 10.1103/PhysRevB.75.205406; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CARBON; CROSS SECTIONS; ELASTIC SCATTERING; ELECTRON BEAMS; ELECTRONS; IRRADIATION; MOLECULAR DYNAMICS METHOD; MONTE CARLO METHOD; NANOTUBES; SIMULATION; TEMPERATURE DEPENDENCE; TUBES

Citation Formats

Yasuda, Masaaki, Kimoto, Yoshihisa, Tada, Kazuhiro, Mori, Hideki, Akita, Seiji, Hirai, Yoshihiko, Nakayama, Yoshikazu, and Department of Mechanical Engineering, Osaka University, Suita, Osaka 565-0871. Molecular dynamics study of electron-irradiation effects in single-walled carbon nanotubes. United States: N. p., 2007. Web. doi:10.1103/PHYSREVB.75.205406.
Yasuda, Masaaki, Kimoto, Yoshihisa, Tada, Kazuhiro, Mori, Hideki, Akita, Seiji, Hirai, Yoshihiko, Nakayama, Yoshikazu, & Department of Mechanical Engineering, Osaka University, Suita, Osaka 565-0871. Molecular dynamics study of electron-irradiation effects in single-walled carbon nanotubes. United States. doi:10.1103/PHYSREVB.75.205406.
Yasuda, Masaaki, Kimoto, Yoshihisa, Tada, Kazuhiro, Mori, Hideki, Akita, Seiji, Hirai, Yoshihiko, Nakayama, Yoshikazu, and Department of Mechanical Engineering, Osaka University, Suita, Osaka 565-0871. Tue . "Molecular dynamics study of electron-irradiation effects in single-walled carbon nanotubes". United States. doi:10.1103/PHYSREVB.75.205406.
@article{osti_21045880,
title = {Molecular dynamics study of electron-irradiation effects in single-walled carbon nanotubes},
author = {Yasuda, Masaaki and Kimoto, Yoshihisa and Tada, Kazuhiro and Mori, Hideki and Akita, Seiji and Hirai, Yoshihiko and Nakayama, Yoshikazu and Department of Mechanical Engineering, Osaka University, Suita, Osaka 565-0871},
abstractNote = {Molecular dynamics studies are carried out to investigate electron-irradiation effects in single-walled carbon nanotubes. We have proposed a simulation model which includes the interaction between a high-energy incident electron and a carbon atom, based on Monte Carlo method using the elastic-scattering cross section. The atomic level behavior of a single-walled carbon nanotube under electron irradiation is demonstrated in nanosecond time scale. The incident electron energy, tube diameter, and tube temperature dependences of electron-irradiation effects are studied with the simulation.},
doi = {10.1103/PHYSREVB.75.205406},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 20,
volume = 75,
place = {United States},
year = {Tue May 15 00:00:00 EDT 2007},
month = {Tue May 15 00:00:00 EDT 2007}
}
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  • Molecular dynamics simulation is carried out to investigate structural modifications of single-walled carbon nanotubes by electron irradiation. Electron irradiation effects are introduced by the Monte Carlo method using an elastic collision cross section. We demonstrate the applicability of the method to the analysis of structural modifications with electron beam such as cutting, shrinking, and bending. The behavior of the carbon atoms in the nanotube during the structural modification is revealed. The simulation results also show the variation of the mechanical properties of carbon nanotubes by electron irradiation.
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