SAIP2016

Structural and dynamical properties of oxygen and cerium vacancies in cerium dioxide

6 Jul 2016, 16:10

1h 50m

Kramer Law building

Board: G.483

Poster Presentation Track G - Theoretical and Computational Physics Poster Session (2)

Speaker

Dr Thuto Mosuang (University of Limpopo)

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

Yes

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

Thuto Mosuang thuto.mosuang@ul.ac.za

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

No

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

N/A

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 dynamical properties of oxygen and cerium vacancies in cerium dioxide are studied using classical molecular dynamics. The formulation uses the Buckingham potential under the NVT ensemble to study these properties. Structural properties are studied using the radial distribution and structure factor functions. The dynamical properties are studied using the time-dependent mean square displacement. Transport properties of both oxygen and cerium vacancies in cerium dioxide are discussed.

Please indicate whether<br>this abstract may be<br>published online<br>(Yes / No)

Yes