Development of a simulation method for dynamics of electrons ejected from DNA molecules irradiated with X-rays

X線照射によりDNA分子から放出される電子のダイナミクスに関するシミュレーション法の開発

甲斐 健師   ; 樋口 真理子; 藤井 健太郎; 渡辺 立子; 横谷 明徳

Kai, Takeshi; Higuchi, Mariko; Fujii, Kentaro; Watanabe, Ritsuko; Yokoya, Akinari

We have proposed a simulation method based on the molecular dynamics to understand the role of the Auger effect with irradiation of monochromatic soft X-rays. The dynamics of the free electrons generated with the radiation damage is described by using Newton equation. The photo-absorption ionization, the elastic scattering, the electron impact ionization, and the Auger decay are considered as atomic processes for the radiation damage. Using this simulation method, there is a possibility to understand the time evolution of the DNA damage induced by the radiation in detail. In this study, we have selected a DNA of 30 base pair as the target, and we will discuss the ionization mechanism and the electron dynamics in the DNA damage with the irradiation of monochromatic soft X-rays.