NDLI: Geometric model of silicon nanotubes

Content Provider	IEEE Xplore Digital Library
Author	Lee, R.K.F. Cox, B.J. Hill, J.M.
Copyright Year	2010
Description	Author affiliation: Nanomechanics Group, School of Mathematics and Applied Statistics, University of Wollongong, Wollongong, NSW 2522, Australia (Lee, R.K.F.; Cox, B.J.; Hill, J.M.)
Abstract	In this paper, we extend both the rolled-up and the polyhedral models for single-walled silicon nanotubes with equal bond lengths to models having distinct bond lengths. The silicon nanotubes considered here are assumed to be formed by $sp^{3}$ hybridization with different bond lengths so that the nanotube lattice is assumed to comprise only skew rhombi. Beginning with the three postulates that (i) all bonds lying on the same helix are equal, (ii) all adjacent bond angles are equal, and (iii) all atoms are equidistant from a common axis of symmetry, we derive exact formulae for the polyhedral geometric parameters such as chiral angles, adjacent bond angles and radius. Finally, some molecular dynamics simulations are undertaken for comparison with the geometric model. These simulations start with equal bond lengths and then stabilize in such a way that two distinct bond lengths emerge.
Starting Page	365
Ending Page	367
File Size	395886
Page Count	3
File Format	PDF
ISBN	9781424452613
DOI	10.1109/ICONN.2010.6045154
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2010-02-22
Publisher Place	Australia
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Geometry Polyhedral model Computational modeling Silicon nanotubes Lattices Nanotubes Predictive models Molecular dynamics Distinct bond lengths Silicon Electron tubes Mathematical model
Content Type	Text
Resource Type	Article

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