12-15 July 2011
Saint George Hotel
Africa/Johannesburg timezone
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Computational study of some Carbon modification

Presented by Ms. MOSHIBUDI SHAI on 14 Jul 2011 from 17:00 to 19:00
Type: Poster Presentation
Session: Poster2
Track: Track G - Theoretical and Computational Physics

Content

<p>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, PhD, other)?

MSc

Consider for a student award (Yes / No)?

No

Short Paper

yes

Place

Location:
Room: Asteria


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