8-12 July 2013
Africa/Johannesburg timezone
<a href="http://events.saip.org.za/internalPage.py?pageId=13&confId=32"><font color=#ff0000>SAIP2013 PROCEEDINGS AVAILABLE</font></a>

Computer simulation studies of SPINEL LiTi<sub>2</sub>O<sub>4</sub>

10 Jul 2013, 16:00
20m
Oral Presentation Track A - Division for Condensed Matter Physics and Materials DCMPM1

Speaker

Ms Raesibe Sylvia Ledwaba (University Of Limpopo)

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

Hons

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

The spinel LiTi2O4 system is of interest in battery applications and used as an anode material... Molecular dynamics calculations were carried out to investigate the effects of temperature on spinel lithium titanate. The NVE ensemble was used, whereas the temperature was varied, ranging from 300K-3000K. The radial distribution functions, diffusion coefficient and x-ray diffractions were analysed. It was observed that the LiTi2O4 system undergoes structural transformation from spinel to ramsdellite at 1148.15K, which gives a good agreement with experimental data acquired.

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

no

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

Professor P.E. Ngoepe, phuti.ngoepe@ul.ac.za , University Of Limpopo

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

no

Primary author

Ms Raesibe Sylvia Ledwaba (University Of Limpopo)

Co-authors

Mr Malili Matshaba (University Of Limpopo) Prof. Phuti Ngoepe (University Of Limpopo)

Presentation Materials

There are no materials yet.