Molecular Dynamics Study of Collective Behavior of Carbon Nanotori in Columnar Phase

Abstract

Supramolecular interaction of carbon nanotori in a columnar phase is described using the methods of classical molecular dynamics. The collective behavior and dynamic properties of toroidal molecules arising under the action of the van der Waals forces are studied. The conditions under which columnar structures based on molecular tori become unstable and rearrange into another structure are investigated. The reasons for the appearance of two types of directed rotational motion from the chaotic motion of molecules are discussed.

Keywords

• carbon nanotorus
• molecular dynamics
• gyroscopic effect
• columnar phase