Fig. 11: Tritium migration, interaction, and diffusion dynamics in LiAlO2.
From: Molecular dynamics study of grain boundaries as defect sinks under irradiation in LiAlO2 and LiAl5O8
a Initial configuration of LiAlO2 featuring tritium atoms randomly distributed at lithium (Li) and aluminum (Al) vacancies. b–d Temporal evolution of the tritium atoms, showing their positions at the initial, intermediary, and final stages of the simulation, respectively. e Configurations of T-O atoms resulting from tritiation. f Trajectory of tritium atoms throughout the simulation at 300 K, illustrating their migration patterns. g Mean squared displacement (MSD) curves for tritium, used to determine the diffusion coefficients.
