Computer simulation of cascade damage in α-iron with carbon in solution

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    Abstract

    Molecular dynamics simulation method is used to investigate defect production by displacement cascades in iron with carbon (C) in solution. This is the first study of cascade damage in a metal containing interstitial solute. Iron is of particular interest because of the use of ferritic steels in plant for nuclear power generation. Cascades are simulated with energy in the range 5-20 keV in iron at either 100 or 600 K containing carbon with concentration in the range 0-1 at.%. C in solution has no discernible effect on the number of defects produced in cascades under any of the conditions simulated, nor on the clustered fraction of either self-interstitial atoms (SIAs) or vacancies. However, significant fractions of single SIAs and vacancies are trapped by C in the cascade process, irrespective of cascade energy. The fraction is independent of temperature for vacancies, but increases strongly with temperature for SIAs: this is a consequence of the higher mobility of the SIA.

    Original languageEnglish
    Pages (from-to)91-95
    Number of pages5
    JournalJournal of Nuclear Materials
    Volume382
    Issue number2-3
    DOIs
    StatePublished - Dec 1 2008

    Funding

    The research was supported by grant GR/S81162/01 from the UK Engineering and Physical Sciences Research Council; Grant F160-CT-2003-508840 (‘PERFECT’) under programme EURATOM FP-6 of the European Commission; and partly by the Division of Materials Sciences and Engineering and the Office of Fusion Energy Sciences, US Department of Energy, under Contract DE-AC05-00OR22725 with UT-Battelle, LLC.

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