Statistical analysis of interatomic bonds and interlayer distances in a carbon helical onion structure with a variable step

• Published in: Technical physics letters Vol. 38; no. 10; pp. 891 - 894
• Main Authors: Siklitskaya, A. V., Yastrebov, S. G., Smith, R.
• Format: Journal Article
• Language: English
• Published: Dordrecht SP MAIK Nauka/Interperiodica 01.10.2012
• Subjects: Classical and Continuum Physics; Physics; Physics and Astronomy; Fullerene; Variable Step; Grey Circle; Interlayer Distance; Technical Physic Letter

A model of the atomic configuration of a helically twisted carbon nanocluster is optimized by combined methods of classical molecular dynamics and density functional. It is shown that, as a result of optimization, a layered helical structure is formed with a variable interlayer distance increasing f...