Fig. 4: Defect evolution in LiAlO2.
From: Molecular dynamics study of grain boundaries as defect sinks under irradiation in LiAlO2 and LiAl5O8
The evolution of defects is quantified in terms of cation vacancies and interstitials for both lithium and aluminum in LiAlO2. Specifically, for lithium, the defects are analyzed in a for the bottom grain and b for the top grain, while for aluminum in c for the bottom grain and d for the top grain. The observed discrepancy between the numbers of vacancies and interstitials indicates that the grain boundary is effectively acting as a sink for interstitials.
