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

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.

Automated summary

Using energy method based on SRIM to calculate defect production is a growing international standard for quantitative comparison of radiation effects. Various abnormal phenomena were observed and discussed when calculating displacements per atom (dpa) values using energy method with F-C mode. These phenomena include negative dpa values, which contradict the physical meaning of dpa, and variations with different ions and targets. A dpa calculation script was developed based on SRIM simulation result data to facilitate defect production calculation.