Buckling behaviors of open-tip carbon nanocones at elevated temperatures

摘要

This paper used molecular dynamics simulations to investigate buckling behaviors of open-tip carbon nanocones (CNCs) at elevated temperatures ranging from 300 to 700 K. Influences of cone height and apex angle on the buckling behaviors were examined. Some interesting findings, especially on the change in buckling mode shapes of the CNCs, were observed in the study. For the CNCs having an apex angle of 19.2°, the one with a lower cone height exhibited a shrinking/swelling buckling mode shape even at the higher temperature 700 K. However, as the cone height increased, the CNC displayed a deflective buckling mode shape at 300 K, but changed to a shrinking/ swelling buckling mode shape when the temperature grew to 500 K. Regarding the influences of apex angle, the CNCs presented a deflective buckling mode shape even at 700 K as the apex angle expanded. This is opposite to the shrinking/swelling buckling mode shape of the CNC having the smallest apex angle of 19.2°.