| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5365406 | Applied Surface Science | 2008 | 4 Pages |
Abstract
The behavior of vacancies in selected coherent grain boundaries (GBs) in Fe and Ni is studied by means of molecular dynamics simulations. Corresponding positron lifetimes are calculated using the atomic superposition method. There is a difference between the vacancy behavior in Fe and Ni in dependence on temperature. In Ni, vacancies at GBs appear to diminish substantially their free volume (and lifetime) with the increasing temperature, which can be attributed to 'vacancy delocalization'. Contrary, GB vacancies remain stable up to apparently higher temperatures in Fe.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
J. Kuriplach, O. Melikhova, M. Hou, S. Van Petegem, E. Zhurkin, M. Å ob,