Anomalies in the calculation of dpa by using damage energy method based on full-cascades option of SRIM

• Published in: Annals of nuclear energy Vol. 183; p. 109667
• Main Authors: Sun, Y., Diao, S.Z., Liu, P.P., Zhan, Q., Wan, F.R.
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.04.2023
• Subjects: Defect production; Displacements per atom (dpa); Ion irradiation; SRIM; Ion irradiation; SRIM; Displacements per atom (dpa); Defect production
• ISSN: 0306-4549; 1873-2100
• DOI: 10.1016/j.anucene.2022.109667

•Six different approaches to quantifying dpa based on SRIM were examined: the vacancy.txt and damage energy methods for F-C and Q-C options.•Several abnormal phenomena were showed and discussed when the dpa values were calculated by EI method with F-C mode.•Based on the SRIM simulation result data, a dpa calculation script was developed, which may facilitate the calculation of defect production. Using energy method based on SRIM to calculate defect production is gradually becoming an international standard, which is crucial for quantitative comparison of radiation effects results obtained by different research groups. Several abnormal phenomena were shown and discussed when the displacements per atom (dpa) values were calculated by energy method with “Detailed calculation with Full Damage cascades” (F-C) mode. These phenomena include negative dpa values which are clearly contradicted physical meaning of dpa, vary with different ions and targets. Based on the SRIM simulation result data, a dpa calculation script was developed, which may facilitate the calculation of defect production.