Abstract
The Fe-Cu-Ni ternary alloy is of interest for nuclear
applications because Cu and Ni are considered to have major
effects on the embrittlement under irradiation of reactor
pressure vessel steels. To improve our understanding on this
phenomenon, large scale atomistic simulations in this model
alloy are desirable. For this purpose we develop a ternary Fe-
Cu-Ni many-body potential consistent with thermodynamics is
developed for the first time. The potential was validated using
molecular static and atomistic kinetic Monte Carlo simulations
and a qualitative agreement with experiments was established.
In particular, Cu precipitates were found to be enriched by Ni
on the precipitate surface. Also, the effects diluting the Fe-Cu
alloy by Ni on mean precipitate size and density showed
similar trends as observed in experiments; i.e. no effect of Ni
on the mean precipitate size and an increase in the maximum
precipitate density due to the addition of Ni. In absolute terms,
agreement with experiment is poor due to the limited box size
used in the simulations, as correspondingly discussed.
Original language | English |
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Title of host publication | Poceedings of the 17th International Conference on Nuclear Engineering |
Place of Publication | New York, NY, United States |
State | Published - 12 Jul 2009 |
Event | ICONE 2009 - 17th International Conference on Nuclear Engineering - ASME, Brussels Duration: 12 Jul 2009 → 16 Jul 2009 |
Conference
Conference | ICONE 2009 - 17th International Conference on Nuclear Engineering |
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Country/Territory | Belgium |
City | Brussels |
Period | 2009-07-12 → 2009-07-16 |