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Comparison with previous experimental results revealed the reasons for the changes in atomic occupancy during the segregation of Cu and P atoms. The results provide insights into the behavior of impurity atoms in irradiated materials and provide a deeper understanding of the electron level of impurity atomization.<\/jats:p>","DOI":"10.1088\/1361-648x\/ad336f","type":"journal-article","created":{"date-parts":[[2024,3,13]],"date-time":"2024-03-13T18:22:51Z","timestamp":1710354171000},"page":"255901","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":1,"title":["First-principles calculation of self-interstitial atom-impurity atom interactions in ferritic steel"],"prefix":"10.1088","volume":"36","author":[{"given":"Chunhui","family":"Li","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wenhao","family":"Duan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6746-4948","authenticated-orcid":true,"given":"Wenjiang","family":"Qiang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"266","published-online":{"date-parts":[[2024,3,27]]},"reference":[{"key":"cmad336fbib1","doi-asserted-by":"publisher","first-page":"13","DOI":"10.1016\/j.jmst.2022.05.062","article-title":"Local chemical ordering and its impact on radiation damage behavior of multi-principal element alloys","volume":"135","author":"Liu","year":"2023","journal-title":"J. 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All rights, including for text and data mining, AI training, and similar technologies, are reserved.","name":"copyright_information","label":"Copyright Information"},{"value":"2023-10-19","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2024-03-13","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2024-03-27","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}