Molecular dynamics simulation of displacement cascades in Fe–Cr alloys

Lorenzo Malerba, Dmitry Terentyev, Pâr Olsson, Roumiana Chakarova, Janne Wallenius

    Research outputpeer-review


    An embedded atom method (EAM) empirical potential recently tted and validated for Fe–Cr systems is used tosimulate displacement cascades up to 15 keV in Fe and Fe–10%Cr. The evolution of these cascades up to thermalisationof the primary damage state is followed and quantitatively analysed. Particular attention is devoted to assessing theeect of Cr atoms on the defect distribution versus pure Fe. Using the Wigner–Seitz cell criterion to identify pointdefects, rst results show that the main effect of the presence of Cr in the system is the preferential formation of mixedFe–Cr dumbbells and mixed interstitial clusters, withexpected lower mobility than in pure Fe.
    Original languageEnglish
    Pages (from-to)1156-1160
    Number of pages5
    JournalJournal of Nuclear Materials
    Issue numberPart B
    StatePublished - 17 Jun 2004

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