Modelling radiation damage in spinel oxides
thesisposted on 24.07.2018 by Dnyansingh Bacorisen
In order to distinguish essays and pre-prints from academic theses, we have a separate category. These are often much longer text based documents than a paper.
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