Abstract
In recent years, the development of atomistic models dealing with
microstructure evolution and subsequent mechanical property change in
reactor pressure vessel steels has been recognised as an important
complement to experiments. In this framework, a literature study has
shown the necessity of many-body interatomic potentials for multicomponent
alloys. In this paper, we develop a ternary many-body
Fe–Cu–Ni potential for this purpose. As a first validation, we used it to
perform a simulated thermal annealing study of the Fe–Cu and Fe–Cu–Ni
alloys. Good qualitative agreement with experiments is found, although
fully quantitative comparison proved impossible, due to limitations in the
used simulation techniques. These limitations are also briefly discussed.
Details
Original language | English |
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Pages (from-to) | 3531-3546 |
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Journal | Philosophical Magazine |
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Volume | 89 |
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Issue number | 34-36 |
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DOIs | |
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Publication status | Published - 1 Dec 2009 |
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