7-11 July 2014
Africa/Johannesburg timezone
<a href="http://events.saip.org.za/internalPage.py?pageId=16&confId=34"><font color=#0000ff>SAIP2014 Proceedings published on 17 April 2015</font></a>

Molecular dynamics studies of some carbon nanotubes chiral structures

8 Jul 2014, 17:10
1h 50m
D Ring ground level

D Ring ground level

Board: G.379
Poster Presentation Track G - Theoretical and Computational Physics Poster1

Speaker

Dr Thuto Mosuang (University of Limpopo)

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Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?

Yes

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none

Abstract content <br> &nbsp; (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>

Structural and equilibrium properties of armchair (cnt(12,12)) and two chiral (cnt(10,12) and cnt(12.10) carbon nanotubes are studied using classical molecular dynamics. The formulation uses the Tersoff potential under the NVT ensemble to study these properties. Structural properties are studied using the radial distribution and structure factor functions. The equilibrium properties are studied using the total energy against lattice parameter variation. Similarities and differences in cnt(12,12), cnt(10,12), and cnt(12,10) symmetries are discussed.

Primary author

Dr Thuto Mosuang (University of Limpopo)

Co-authors

Prof. Erasmus Rammutla (Univerisity of Limpopo) Ms Moshibudi Shai (University of Limpopo)

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