@misc{shahabi_carbon_2014,
	title = {Carbon nanotube plectonemes: {Loops} of twisted helices},
	shorttitle = {Carbon nanotube plectonemes},
	url = {http://arxiv.org/abs/1402.5696},
	doi = {10.48550/arXiv.1402.5696},
	abstract = {The relaxation of twist in elastic filaments often drives conformational changes. We explore this paradigm using all-atom computations and report the formation of novel supercoiled shapes in individual carbon nanotubes (CNTs). Decreasing the end distance of torsionally constrained CNTs leads to spontaneous nucleation and growth of a nanotube plectoneme. We develop a stability diagram and comparisons with theoretical frameworks reveal the importance of non-local van Der Waals interactions. In some cases, they stabilize the supercoiling to an extent that its tip locally kinks and then irreversibly reconstructs into a disordered yet strengthened structure that involves \$sp{\textasciicircum}3\$ bonding. The ability to engineer supercoiled conformations of CNTs and related nanoscale filaments opens the possibility of a unique set of tunable functional properties at the nanoscale.},
	urldate = {2023-03-13},
	publisher = {arXiv},
	author = {Shahabi, Alireza and Upmanyu, Moneesh},
	month = oct,
	year = {2014},
	note = {m02},
	keywords = {0},
}

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