Proceedings of the IEEK Conference (대한전자공학회:학술대회논문집)

The Institute of Electronics and Information Engineers (대한전자공학회)
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Molecular Dynamic Simulation of The Temperature-Dependent Single Wall Carbon Nanotube

온도변화에 따른 탄소 나노튜브의 분자 동역학 시뮬레이션

  • 문원하 (중앙대학교 반도체 공정소자 연구실) ;
  • 강정원 (중앙대학교 반도체 공정소자 연구실) ;
  • 이영직 (중앙대학교 반도체 공정소자 연구실) ;
  • 박수현 (중앙대학교 반도체 공정소자 연구실) ;
  • 황호정 (중앙대학교 반도체 공정소자 연구실)
  • Published : 1999.11.01
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Abstract

Recent developments of carbon nanotubes are reviewed［1,2,3,4］. We use Tersoff carbon potential for bonded interactions［5］ and Lennard-Jones 12-6 potential for non bonding interactions［6］to describe mechanical properties of the temperature-dependent armchair single wall carbon nanotube. At first we report that through defect number and bonding energy calculation, how single wall carbon nanutube is capped in the constant temperature. (300K, 2000K, 3000K, 4000K) At second, we perform MD simulation, which are performed on the energy optimized structure of carbon nanotube.

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