10-14 July 2016
Africa/Johannesburg timezone
Paper Submission is Open!! Registration for CCP2016 Conference will be open at the registration desk @ St. George's Hotel reception area on Sunday 10 July / Welcome Dinner at 18:30 SAST.

Molecular dynamics studies of Schottky and Frenkel defects in cubic boron nitride

12 Jul 2016, 16:00
Oral Presentation Parallel Track B


Dr Thuto Mosuang (University of Limpopo)

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>

Schottky and Frenkel defect energies in boron nitride are studied using the classical molecular dynamics. Tersoff potentials are used to enlighten the boron-nitrogen, boron-boron and nitrogen-nitrogen interactions in the bulk and defect structures. The formulation uses the NVT Evans ensemble to obtain the various defect energies. Boron and nitrogen vacancy defect energies relative to bulk boron nitride total energies are used to get more insight on cubic boron nitride as a strong material. The nature of Schottky and Frenkel defects in this material are discussed.

Primary author

Dr Thuto Mosuang (University of Limpopo)

Presentation Materials

There are no materials yet.