실리콘 나노튜브 구조의 원자단위 시뮬레이션

  • 이준하 (상명대학교 컴퓨터시스템공학 정보디스플레이연구소) ;
  • 이흥주 (상명대학교 컴퓨터시스템공학 정보디스플레이연구소) ;
  • 이주율 (중앙대학교 전자공학과 차세대나노기술연구실)
  • Published : 2004.05.01

Abstract

The responses of hypothetical silicon nanotubes under torsion have been investigated using an atomistic simulation based on the Tersoff potential. A torque, proportional to the deformation within Hooke's law, resulted in the ribbon-like flattened shapes and eventually led to a breaking of hypothetical silicon nanotubes. Each shape change of hypothetical silicon nanotubes corresponded to an abrupt energy change and a singularity in the strain energy curve as a function of the external tangential force, torque, or twisted angle. The dynamics of silicon nanotubes under torsion can be modelled in the continuum elasticity theory.

Keywords