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Evaluation of Radiation Resistance of Polystyrene Using Molecular Dynamics Simulation.
Yeon, Yeong-Heum; Shim, Ha-Eun; Park, Jin-Hyung; Lee, Nam-Ho; Park, Jae-Yeon; Chae, Moon-Sik; Mun, Jung-Ho; Lee, Jae-Hyun; Gwon, Hui-Jeong.
Affiliation
  • Yeon YH; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, 29 Geumgu-Gil, Jeongeup-Si 56212, Korea.
  • Shim HE; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, 29 Geumgu-Gil, Jeongeup-Si 56212, Korea.
  • Park JH; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, 29 Geumgu-Gil, Jeongeup-Si 56212, Korea.
  • Lee NH; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, 29 Geumgu-Gil, Jeongeup-Si 56212, Korea.
  • Park JY; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, 29 Geumgu-Gil, Jeongeup-Si 56212, Korea.
  • Chae MS; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, 29 Geumgu-Gil, Jeongeup-Si 56212, Korea.
  • Mun JH; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, 29 Geumgu-Gil, Jeongeup-Si 56212, Korea.
  • Lee JH; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, 29 Geumgu-Gil, Jeongeup-Si 56212, Korea.
  • Gwon HJ; Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, 29 Geumgu-Gil, Jeongeup-Si 56212, Korea.
Materials (Basel) ; 15(1)2022 Jan 04.
Article in En | MEDLINE | ID: mdl-35009493
The scission rates of polystyrene and fluorinated polystyrene irradiated in an irradiation facility with Co-60 γ-rays were determined using molecular dynamics simulation and gel permeation chromatography (GPC) molecular weight distributions. The prediction was based on the assumption that γ-ray energy is transferred to the initial velocity of the primary knock-on atom. We employed a molecular dynamics simulation procedure to compute the changes in bond length between the connections for selected values of the absorbed dose and compared the calculated values with measurements made on the irradiated samples. The samples were exposed to four different absorbed doses of 25, 50, 75, and 100 kGy. The scission process and scission ratio were simulated with LAMMPS with ReaxFF potential for each bond, and we compared the simulation results with the experimental data especially measuring average molecular weight to evaluate the effect of fluorination on radiation enhancement.
Key words

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Materials (Basel) Year: 2022 Document type: Article Country of publication: Switzerland

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Materials (Basel) Year: 2022 Document type: Article Country of publication: Switzerland