Computational insights from the thermal spike model into mesoporous silica behavior during swift heavy ion irradiation

Mesoporous silica materials are pivotal in various scientific domains due to their unique properties and versatile applications. However, understanding their response to irradiation, particularly from Swift Heavy Ions (SHI), remains limited. We address this gap by investigating experimental mesoporous silica behavior under 12 MeV Carbon and 92 MeV Xenon bombardment using the Three-Dimensional Thermal Spike Model (3DTS) simulation. Our computational simulations reveal localized heating effects and provide mechanistic insights into experimental observations, shedding light on pore closure and different observed damage patterns. This study is the first application of this model to porous silica and deepens our knowledge of the mechanism of structural evolution under ion bombardment.