Thesis-2006-Bacorisen.pdf (11.31 MB)
Modelling radiation damage in spinel oxides
thesisposted on 2018-07-24, 09:19 authored by Dnyansingh Bacorisen
In this thesis, defect formation by a radiation event in the normal MgAl2O4 was investigated using molecular dynamics (MD) simulations. The mechanisms and activation barriers for point defects to diffuse were determined using temperature accelerated dynamics (TAD). The role of cation inversion on defect formation and defect diffusion in spinel-structured oxides was analysed by performing the simulations in three spinels: the normal MgAl2O4, the half-inverse MgGa2O4 and the fully inverse MgIn2O4. The methodology employed in this thesis can be utilised for simulations in other ionic materials. [Continues.]
- Mathematical Sciences
Publisher© Dnyansingh Bacorisen
Publisher statementThis work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/
NotesA Doctoral Thesis. Submitted in partial fulfilment of the requirements for the award of Doctor of Philosophy at Loughborough University.