Abstract
We used DFT calculations and a recently developed empirical potential for FeCr to study in detail the stability and mobility of single-SIA and SIA clusters in FeCr alloys of different concentrations, up to 15%Cr. We show that the presence of Cr creates local trapping configurations that can significantly reduce the mobility of single SIA and SIA clusters, thereby explaining a number of experimental observations. The obtained results provide quantitative estimates of this effect for different FeCr compositions.
Original language | English |
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Title of host publication | Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications |
Place of Publication | LaGrange Park, IL, United States |
State | Published - Apr 2007 |
Event | Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications - Monterey, CA Duration: 15 Apr 2007 → 19 Apr 2007 |
Conference
Conference | Joint International Topical Meeting on Mathematics & Computation and Supercomputing in Nuclear Applications |
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Country/Territory | United States |
City | Monterey, CA |
Period | 2007-04-15 → 2007-04-19 |