Open AccessStructural transition from a ring to a folded structure of a seamless nanobelt
Author(s) -
Norio Inui,
Taichi Makimoto,
Kousuke Moritani
Publication year - 2021
Publication title -
nano express
Language(s) - English
Resource type - Journals
ISSN - 2632-959X
DOI - 10.1088/2632-959x/ac022c
Subject(s) - van der waals force , metastability , annealing (glass) , lattice (music) , materials science , crystallography , chemical physics , condensed matter physics , hexagonal lattice , chemistry , physics , molecule , composite material , antiferromagnetism , acoustics , organic chemistry
Stable structures of a rolled seamless belt of atoms arranged in a two-dimensional honeycomb lattice such as a carbon nano-belt, transit from a ring-shaped structure with a rotational invariance to folded structures as the circumference of the belt increases. Using molecular mechanics, we consider the size dependence of the structures obtained by simulated annealing. In addition, the relationship between the variety of metastable structures and the rate of temperature decrease during annealing is also examined. Furthermore, we investigate the effects of the van der Waals interaction between the surfaces on the structural transitions.