Microchemical effects in irradiated Fe–Cr alloys as revealed by atomistic simulation

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Neutron irradiation produces evolving nanostructural defects in materials, that affect their macroscopic properties. Defect production and evolution is expected to be influenced by the chemical composition of the material. In turn, the accumulation of defects in the material results in microchemical changes, which may induce further changes in macroscopic properties. In this work we review the results of recent atomic-level simulations conducted in Fe–Cr alloys, as model materials for high-Cr ferritic–martensitic steels, to address the following questions: 1. Is the primary damage produced in displacement cascades influenced by the Cr content? If so, how? 2. Does Cr change the stability of radiation-produced defects? 3. Is the diffusivity of cascade-produced defects changed by Cr content? 4. How do Cr atoms redistribute under irradiation inside the material under the action of thermodynamic driving forces and radiationdefect fluxes?


Original languageEnglish
Pages (from-to)486-498
JournalJournal of Nuclear Materials
Issue number1-3
Publication statusPublished - 26 Oct 2013


  • microchemical evolution, Fe-Cr alloys, atomistic simulations

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