کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1686248 | 1518762 | 2006 | 10 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Molecular dynamics modelling of radiation damage in normal, partly inverse and inverse spinels Molecular dynamics modelling of radiation damage in normal, partly inverse and inverse spinels](/preview/png/1686248.png)
The radiation response of perfect crystals of MgAl2O4, partially inverted MgGa2O4 and fully inverse MgIn2O4 were investigated using molecular dynamics. Dynamical cascades were initiated in these spinels over a range of trajectories with energies of 400 eV and 2 keV for the primary knock-on event. Collision cascades were set up on each of the cation and anion sublattices and were monitored up to 10 ps. Simulations in the normal MgAl2O4 spinel for the 2 keV energy regime resulted in similar defect structures as obtained at the post-threshold 400 eV energies, with little clustering occurring. The predominant defect configurations were split interstitials and cation antisites. For the inverse spinels, a much wider variety of lattice imperfections was observed. More defects were also produced due to the formation of interstitial–vacancy cation chains and oxygen crowdions.
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 250, Issues 1–2, September 2006, Pages 36–45