12-15 July 2011
Saint George Hotel
Africa/Johannesburg timezone

Computational study of some Carbon modification

14 Jul 2011, 17:00
2h
Asteria

Asteria

Poster Presentation Track G - Theoretical and Computational Physics Poster2

Speaker

Ms MOSHIBUDI SHAI (UNIVERSITY OF LIMPOPO)

Description

Classical molecular dynamics simulations were used to study the modification of some carbon forms. The type of carbons that were used is diamond and nanocarbon. Carbon is unique among other elements in its ability to form strong chemical bonds with a variety of coordination numbers. The simulations predict that the behaviour of diamond and nanocarbon are similar although the nanotube has low minimum energy compared to the bulk diamond. The radial distribution functions of the two forms differ by half a magnitude.

Level (Hons, MSc, <br> &nbsp; PhD, other)? MSc
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)? yes
Consider for a student <br> &nbsp; award (Yes / No)? No

Primary authors

Ms MOSHIBUDI SHAI (UNIVERSITY OF LIMPOPO) Dr Thuto Mosuang (UNIVERSITY OF LIMPOPO)

Co-author

Prof. Erasmus Rammutla (UNIVERSITY OF LIMPOPO)

Presentation Materials

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