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.

中文翻译：

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无缝纳米带从环状结构转变为折叠结构

以二维蜂窝晶格排列的原子的轧制无缝带的稳定结构，如碳纳米带，随着带周长的增加，从具有旋转不变性的环形结构转变为折叠结构。使用分子力学，我们考虑了通过模拟退火获得的结构的尺寸依赖性。此外，还研究了各种亚稳态结构与退火过程中温度下降率之间的关系。此外，我们研究了表面之间的范德华相互作用对结构转变的影响。