Commun. Comput. Phys., 13 (2013), pp. 1245-1264.


Morphological Similarities between Single-Walled Nanotubes and Tubelike Structures of Polymers with Strong Adsorption Affinity to Nanowires

Thomas Vogel 1*, Tali Mutat 2, Joan Adler 2, Michael Bachmann 1

1 Center for Simulational Physics, Department of Physics and Astronomy, The University of Georgia, Athens, GA, 30602, USA.
2 Department of Physics, Technion, Israel Institute of Technology, Haifa, 32000, Israel.

Received 13 December 2011; Accepted (in revised version) 23 April 2012
Available online 8 October 2012
doi:10.4208/cicp.131211.230412a

Abstract

In their tubelike phase, nanowire-adsorbed polymers exhibit strong structural similarities to morphologies known from single-walled carbon (hexagonal) and boron (triangular) nanotubes. Since boron/boron nitride tubes require some disorder for stability the triangular polymer tubes provide a closer analog to the carbon tubes. By means of computer simulations of both two and three dimensional versions of a coarse-grained bead-spring model for the polymers, we investigate their structural properties and make a detailed comparison with structures of carbon nanotubes.

AMS subject classifications: 82B80, 82D60, 82D80
PACS: 82.35.Gh, 05.10.Ln, 61.48.De
Key words: Polymers on surfaces, Monte Carlo methods, structure of carbon nanotubes, boron nanotubes.

*Corresponding author.
Email: thomasvogel@physast.uga.edu (T. Vogel), talimu@techunix.technion.ac.il (T. Mutat), phr76ja@techunix.technion.ac.il (J. Adler),bachmann@smsyslab.org (M. Bachmann)
 

The Global Science Journal