9-13 July 2012
Africa/Johannesburg timezone
<a href="http://events.saip.org.za/internalPage.py?pageId=11&confId=14"><font color=#ff0000>SAIP2012 PROCEEDINGS AVAILABLE</font></a>

Computational simulations of graphene and carbon nanotubes

12 Jul 2012, 17:30
2h
IT Building

IT Building

Poster Presentation Track G - Theoretical and Computational Physics Poster Session

Speaker

Ms MOSHIBUDI SHAI (university of limpopo)

Main supervisor (name and email)<br>and his / her institution

Dr TE MOSUANG(thuto.mosuang@ul.ac.za ) UNIVERSITY OF LIMPOPO

Level for award<br>&nbsp;(Hons, MSc, <br> &nbsp; PhD)?

MSC

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

NO

Apply to be<br> consider for a student <br> &nbsp; award (Yes / No)?

YES

Abstract content <br> &nbsp; (Max 300 words)

Molecular dynamics simulations are used to study the relative stability of graphene and carbon nanotubes. The formulation of the Tersoff bond-order potential was used to investigate the energetic stabilities and thermodynamics properties through a range of temperature. The structural properties were studied using the radial distribution effects functions. The thermodynamics effects were studied using the energy-temperature plots. Similarities and differences in graphene and carbon nanotubes are discussed.

Primary authors

Ms MOSHIBUDI SHAI (university of limpopo) Dr THUTO MOSUANG (UNIVERSITY OF LIMPOPO)

Co-author

Prof. ERASMUS RAMMUTLA (UNIVERSITY OF LIMPOPO)

Presentation Materials

Peer reviewing

Paper