Molecular dynamics simulation using the embedded-atom method is applied to study thermal stability of silver nanotubes and its coefficient of linear thermal expansion. The correspondence of face centered cubic structure potential for this task is tested. Three types of nanotubes are modelled: scrolled from graphene-like plane, scrolled from plane with cubic structure and cut from cylinder. It is established that only the last two of them are stable. The last one describes in details. There is critical temperature when free ends of the nanotube close but the interior surface retains. At higher temperatures, the interior surface collapses and the nanotube is unstable.
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Filatov, O., Soldatenko, S. & Soldatenko, O. The determination of temperature stability of silver nanotubes by the molecular dynamics simulation. Appl Nanosci 9, 853–857 (2019). https://doi.org/10.1007/s13204-018-0770-4
- Thermal expansion
- Molecular dynamics simulation