Development of a chemical code applicable to ions based on the PHITS code for efficient and visual radiolysis simulations

Matsuya, Yusuke  ; Yoshii, Yuji*; Kusumoto, Tamon*; Ogawa, Tatsuhiko   ; Onishi, Seiki*; Hirata, Yuho   ; Sato, Tatsuhiko   ; Kai, Takeshi   

Radicals by water radiolysis play an important role in evaluating radiation-induced biological effects, such as DNA damage induction, chromosomal aberrations, and carcinogenesis. In the Particle and Heavy Ion Transport code System (PHITS), a track-structure simulation mode enabling the estimation of each atomic interactions in water and a chemical simulation code (PHITS-Chem) dedicated to electron beams that can simulate radical dynamics have been developed in our previous study. Here, we developed the PHITS-Chem code applicable to any ion species, considering a space partitioning method to detect radical reactions more efficiently and the 4D visualization function. The updated PHITS-Chem code was verified by comparing the simulated G values of proton beams, particle beams, and carbon ion beams to the corresponding values in the literature. We succeeded in intuitively evaluating the diffusion dynamics of radicals using the PHITS 3D drawing software, PHIG-3D. The time to calculate the G values was reduced (e.g., about 28 times faster) while maintaining its calculation accuracy. The developed PHITS-Chem code is expected to contribute to precise and intuitive understanding of the biological effects induced by radicals in ion-beam radiotherapy.