Buckling of carbon nanotubes wrapped by polyethylene molecules

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Author(s)

Detail(s)

Original languageEnglish
Pages (from-to)624-627
Journal / PublicationPhysics Letters, Section A: General, Atomic and Solid State Physics
Volume375
Issue number3
Publication statusPublished - 17 Jan 2011
Externally publishedYes

Abstract

The discovery of a buckling instability of a single-walled carbon nanotube wrapped by a polyethylene molecule subjected to compression is reported through molecular mechanics simulations. A decrease up to 44% in the buckling strain of the nano-structure owing to the van der Waals interaction between the two molecules is uncovered. A continuum model is developed to calculate both the interaction between the tube and the polymer and the decreased buckling strain of the structure by fitting the molecular mechanics results. © 2010 Elsevier B.V. All rights reserved.

Research Area(s)

  • Elastic shell model, Long chain polyethylene molecule, Molecular mechanics, Single-walled carbon nanotubes, Van der Waals interaction