Proceedings of the KSME Conference (대한기계학회:학술대회논문집)
- 2004.11a
- /
- Pages.400-403
- /
- 2004
Multi-scale Simulation on the Mechanical Behavior of Multi-walled Carbon Nanotubes
다중벽 탄소나노튜브의 역학적 거동에 관한 멀티스케일 전산모사
- Published : 2004.11.03
Abstract
We present a coarse-graining model to describe the mechanical behaviors of multi-walled carbon nanotubes. To find the atomic configuration in membrane-like nanostructure i.e. carbon nanotube, we employ interpolation functions and the associated element-variables that are defined in the subdivided region. Tersoff-Brenner potential is adopted for interaction of bonded atoms and also van der Waals force for non-bonded interaction. Moreover, we simulate the coarse-graining multi-walled carbon nanotubes with defects and its result is compared with that of perfect multi-walled carbon nanotubes.
Keywords