- 著者
- Susumu Fujiwara Hiroaki Nakamura Haolun Li Hisanori Miyanishi Tomoko Mizuguchi Takuo Yasunaga Takao Otsuka Yuji Hatano Shinji Saito
- 出版者
- Japan Society for Simulation Technology
- 雑誌
- 日本シミュレーション学会英文誌 (ISSN:21885303)
- 巻号頁・発行日
- vol.6, no.1, pp.94-99, 2019 (Released:2019-03-15)
- 参考文献数
- 9
- 被引用文献数
- 3 8
We propose a computational strategy for investigating structural change of tritium-substituted macromolecules. Effects of radiation on macromolecules such as polymeric materials and DNA are classified into three categories: (1) direct action, (2) indirect action, and (3) decay effect. In this study, we focus on the decay effect exclusively. After a beta decay of substituted tritium in macromolecules to helium-3, the generated inert helium-3 is assumed to be deleted quickly. To get an insight into the decay effect to the damage of macromolecules, we perform molecular dynamics simulations of tritium-deleted macromolecules and analyze their structural change. Preliminary simulation results of decay effect on polymeric materials and DNA are presented.