Abstract
We present a series of many-body interatomic potentials of use in atomistic simulations to model radiation damage in structural components of nuclear light-water reactors. A new Fe-Cu and Fe-Cu-Ni potential to represent reactor pressure vessel steels is developed. The Fe-Ni potential, developed as part of the ternary potential, can also be used in a first approximation to represent austenitic (stainless) steels, which is the material of choice for the reactor's in-core components. We emphasize that, to the best of our knowledge, our Fe-Cu-Ni potential represents the first example of a ternary many-body potential to study radiation damage. Due to the many-body character of our potential, results obtained with it are easily transferrable between different atomistic techniques, as opposed to other multi-component cohesive models currently found in the literature.
Details
Original language | English |
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Title of host publication | Proceedings of the 2nd International Youth Conference on Energetics |
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Place of Publication | Budapest, Hungary |
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Publication status | Published - 4 Jun 2009 |
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Event | 2nd International Youth Conference on Energetics - Budapest, Hungary Duration: 4 Jun 2009 → 6 Jun 2009 |
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Conference | 2nd International Youth Conference on Energetics |
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Country/Territory | Hungary |
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City | Budapest |
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Period | 2009-06-04 → 2009-06-06 |
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