Simulation study of a nanomaterial interacting with ionizing radiation through OTOR and IMTS models for different particle sizes

A correlation linking nanocrystal dimensions, and thermoluminescence (TL) signal magnitude has been extensively reported in the scientific literature, while the underlying physical mechanisms remain relatively unexplored. The present study aims to investigate these mechanisms through simulations conducted in Python. Two mathematical models, the One Trap - One Recombination (OTOR) center and the Interactive Multi-Trap System (IMTS), were used to derive theoretical luminescence signals. The simulations were designed to replicate nanomaterials of different sizes by adjusting the quantity of available electron traps, also for phenomena related to weak or strong competition. The obtained results were meticulously compared with experimental data derived from actual nanostructured thermoluminescent dosimeters (TLDs), instigating a thorough comparative discussion. The OTOR model demonstrated its ability to effectively capture the behavior exhibited by a range of thermoluminescent dosimeters (TLDs), including materials such as NaLiPO4, BaCaSO4, CaSO4, and MgB4O7, while IMTS was able to implement the interesting case of LiF.