Computer simulation of displacement cascades in {alpha}-zirconium
- Univ. of Liverpool (United Kingdom). Dept. of Materials Science and Engineering
- AECL Chalk River Labs., Ontario (Canada)
The damage produced in {alpha}-zirconium at 100 K by displacement cascades with energy up to 20 keV has been investigated by MD simulations. In agreement with modelling of fcc and bcc metals, the defect production efficiency in zirconium is well below the NRT estimate. The number and size of clusters, both vacancy and interstitial, are increased by increasing PKA energy, and clusters containing up to 25 interstitials and 30 vacancies were formed by 20 keV cascades. Most interstitial clusters have dislocation character with perfect Burgers vectors of the form 1/3<11{bar 2}0>, but a few metastable clusters are formed and are persistent over the timescale of MD simulations. Collapse of the 30-vacancy cluster to a faulted loop on the prism plane was found to occur over a period of more than 100 ps.
- OSTI ID:
- 541140
- Report Number(s):
- CONF-961202--; ISBN 1-55899-343-6
- Country of Publication:
- United States
- Language:
- English
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