Generalized method for constructing the atomic coordinates of nanotube caps

A practical numerical method for the rapid construction of nanotube caps is proposed. Founded upon the notion of lattice duality, the algorithm considers the face dual representation of a given nanotube which is used to solve an energy minimization problem analogous to The Thomson Problem. Not only...

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Bibliographic Details
Main Authors: Robinson, M., Suarez-Martinez, Irene, Marks, Nigel
Format: Journal Article
Published: American Physical Society 2013
Online Access:http://hdl.handle.net/20.500.11937/20594