Energetic Stability of Vacancy-Carbon Clusters in Solid Solution Alloys: The Fe-Cr-C Case

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In carbon-containing alloys, the energetic stability of vacancy-carbon (v-C) clusters plays a key role in the post-irradiation damage recovery. So far, all interpretations of post-irradiation annealing experiments are based on the theoretical knowledge established for the iron-carbon alloy. For the interpretation of high-Cr steels, the stability of v-C clusters in the presence of a solid solution background is essential. Therefore, a simple and efficient model to estimate the stability of v-C clusters in random solid solution alloys is proposed. The model is parameterized for the Fe-Cr-C alloy using density functional theory. The results are discussed accounting for available experimental evidences.


Original languageEnglish
Article number1900130
Pages (from-to)1-6
Number of pages6
JournalPhysica Status Solidi (B)
Issue number11
Publication statusPublished - 1 Nov 2019


  • Damage recovery, density functional theory, high-Cr steels, randaom alloys

ID: 5867077