Primary radiation damage characterization of alpha-iron under irradiation temperature for various PKA energiesPrimary radiation damage characterization of α-iron under irradiation temperature for various PKA energies
- Other Titles
- Primary radiation damage characterization of α-iron under irradiation temperature for various PKA energies
- Authors
- Sahi, Qurat-ul-ain; Kim, Yong-Soo
- Issue Date
- Apr-2018
- Publisher
- IOP PUBLISHING LTD
- Keywords
- molecular dynamics; displacement cascade; primary defect formation; defect clusters; temperature effects
- Citation
- MATERIALS RESEARCH EXPRESS, v.5, no.4, pp.1 - 13
- Indexed
- SCIE
SCOPUS
- Journal Title
- MATERIALS RESEARCH EXPRESS
- Volume
- 5
- Number
- 4
- Start Page
- 1
- End Page
- 13
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/2396
- DOI
- 10.1088/2053-1591/aabb6f
- ISSN
- 2053-1591
- Abstract
- The understanding of radiation-induced microstructural defects in body-centered cubic (BCC) iron is of major interest to those using advanced steel under extreme conditions in nuclear reactors. In this study, molecular dynamics (MD) simulations were implemented to examine the primary radiation damage in BCC iron with displacement cascades of energy 1, 5, 10, 20, and 30 keV at temperatures ranging from 100 to 1000 K. Statistical analysis of eight MD simulations of collision cascades were carried out along each [110], [112], [111] and a high index [135] direction and the temperature dependence of the surviving number of point defects and the in-cascade clustering of vacancies and interstitials were studied. The peak time and the corresponding number of defects increase with increasing irradiation temperature and primary knock-on atom (PKA) energy. However, the final number of surviving point defects decreases with increasing lattice temperature. This is associated with the increase of thermal spike at high PKA energy and its long timespan at higher temperatures. Defect production efficiency (i.e., surviving MD defects, per Norgett-Robinson-Torrens displacements) also showed a continuous decrease with the increasing irradiation temperature and PKA energy. The number of interstitial clusters increases with both irradiation temperature and PKA energy. However, the increase in the number of vacancy clusters with PKA energy is minimal-to-constant and decreases as the irradiation temperature increases. Similarly, the probability and cluster size distribution for larger interstitials increase with temperature, whereas only smaller size vacancy clusters were observed at higher temperatures.
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