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Atomistic simulation of mobile clusters in metals

Author
Osetsky, Y.; Bacon, D.; Serra, A.
Type of activity
Journal article
Journal
Materials research society symposia proceedings
Date of publication
1998
Volume
538
First page
649
Last page
654
DOI
https://doi.org/10.1557/PROC-538-223 Open in new window
URL
http://journals.cambridge.org/action/displayAbstract?fromPage=online&aid=8069127&fileId=S1946427400289495 Open in new window
Abstract
The structure, stability and thermally-activated motion of interstitial and vacancy clusters in Fe and Cu have been studied using atomic scale computer simulation. All studied interstitial clusters and perfect interstitial loops (PILs) in Fe are mobile whereas their mobility in Cu can be suppressed at large sizes (bigger than 49-61 self-interstitials depending on the temperature) due to dissociation. A comparative study of relaxed configurations has shown that the structure of small perfect disl...
Group of research
SC-SIMBIO - Complex systems. Computer simulation of materials and biological systems

Participants