@article{18e680011ea9429ea771fcd6ba872278,
title = "Carbon-nanotube geometries as optimal configurations",
abstract = "The fine geometry of carbon nanotubes is investigated from the viewpoint of molecular mechanics. Actual nanotube configurations are characterized as locally minimizers of a given configurational energy, including both two- and three-body contributions. By focusing on so-called zigzag and armchair topologies, we prove that the configurational energy is strictly minimized within specific, one-parameter families of periodic configurations. Such optimal configurations are checked to be stable with respect to a large class of small nonperiodic perturbations and do not coincide with classical rolled-up nor polyhedral geometries.",
author = "E. Mainini and H. Murakawa and P. Piovano and U. Stefanelli",
note = "Funding Information: ∗Received by the editors August 3, 2016; accepted for publication (in revised form) August 1, 2017; published electronically October 24, 2017. http://www.siam.org/journals/mms/15-4/M108786.html Funding: The first author{\textquoteright}s work was supported by the Austrian Science Fund (FWF) project M 1733-N20. The second author{\textquoteright}s work was supported by JSPS KAKENHI grant 17K05368. The third author{\textquoteright}s work was supported by the Austrian Science Fund (FWF) project P 29681 and from the Vienna Science and Technology Fund (WWTF), the City of Vienna, and Berndorf Privatstiftung through Project MA16-005. The fourth author{\textquoteright}s work was supported by the Austrian Science Fund (FWF) projects P 27052, I 2375, and F 65 and from the Vienna Science and Technology Fund (WWTF) through Project MA14-009. Publisher Copyright: {\textcopyright} 2017 Society for Industrial and Applied Mathematics.",
year = "2017",
doi = "10.1137/16M1087862",
language = "English",
volume = "15",
pages = "1448--1471",
journal = "Multiscale Modeling and Simulation",
issn = "1540-3459",
publisher = "Society for Industrial and Applied Mathematics Publications",
number = "4",
}