Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5453877 | Journal of Nuclear Materials | 2017 | 8 Pages |
Abstract
The threshold displacement energy (TDE) is an important quantity used to determine the number of defects formed by irradiation of high-energy particles. For the TDE of tungsten, different values have been reported and then used in previous studies, which has caused inconsistencies in calculated damage amounts. In the present study, we evaluate the TDE using molecular dynamics calculations, where the TDE is defined as the average value of the minimum displacement energies for creating a stable defect over all recoil directions. To determine the TDE accurately, the effects of calculation settings, such as the simulation cell size, the number of sampled recoil directions, the increment step of the recoil energy in searching the threshold value, and the thermal vibration of atoms, were analyzed. A TDE of 85Â eV was obtained for tungsten with an estimated error of 4.5%. This TDE value is close to the one recommended by the American Society for Testing and Materials (ASTM), 90Â eV. Consequently, we conclude that 90Â eV is a reasonable choice for the TDE of tungsten.
Keywords
Related Topics
Physical Sciences and Engineering
Energy
Nuclear Energy and Engineering
Authors
Mosab Jaser Banisalman, Sehyeok Park, Takuji Oda,