Thermal stability and morphological variation of carbon nanorings of different radii during the temperature elevating process: A molecular dynamics simulation study

Chuan Chen, Jee Gong Chang, Shin Pon Ju, Chi Chuan Hwang

研究成果: Article同行評審

4 引文 斯高帕斯(Scopus)

摘要

We study the thermal stability and morphological variations of nanorings with different radii during the temperature elevation using the molecular dynamics (MD) simulation method. Five metastable nanorings were generated using the different initial C-C bond length of armchair carbon nanotubes. The stable structures of the two smallest nanorings have several kinked regions around the nanorings, with the deformations of the inner and outer walls occurring at the same temperature. For the largest three cases, the morphologies of nanorings from the top view display circular shapes at 0 K. For the nanoring with a radius of 146 Å(350 units), the thermal deformation process is very similar to the smallest two cases, but the temperature at which the thermal deformation begins is higher. For the nanoring with nanoring radii of 165 Å(400 units) and 185 Å(450 units), thermal deformation will take place at the inner wall of the nanoring, and then will induce deformation of the outer wall at a higher temperature. Variations of local structures at the kinked regions at different temperatures are also drawn.

原文English
頁(從 - 到)1995-2006
頁數12
期刊Journal of Nanoparticle Research
13
發行號5
DOIs
出版狀態Published - 2011 5月

All Science Journal Classification (ASJC) codes

  • 生物工程
  • 原子與分子物理與光學
  • 一般化學
  • 建模與模擬
  • 一般材料科學
  • 凝聚態物理學

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