{"title":"Competitive segregation to grain boundaries between Cr and Co in FeNiCrCo alloy","authors":"Weiwei Zhang, Li Huang, Jing Liang, Yanchao Li, Wei Bai, Benqi Jiao, Dongxiao Kan, Jianfeng Li, Wen Zhang","doi":"10.1002/sia.7307","DOIUrl":null,"url":null,"abstract":"Alloying elements segregating to grain boundaries (GBs) is vital in determining structural stability and mechanical properties of alloys, especially in high‐entropy alloys (HEAs) that consist of multiple elements. However, some details remain unclear, such as the process of varied atoms (Cr and Co) cosegregation to GBs in FeNiCrCo alloy. Therefore, the competition and cooperation between Fe, Ni, Cr, and Co atoms segregating to GBs of FeNiCrCo alloy were investigated via molecular dynamic (MD) simulation. Five [110] symmetric tilt GBs of FeNiCrCo were applied to study the relation between the tendency of atomic segregation especially Cr and Co and GB characters including GB energy and GB excess free volume (GB excess volume). A competitive segregation phenomenon between Cr and Co atoms was discovered, which could be dominated by GB excess volume and different atomic radii among components.","PeriodicalId":22062,"journal":{"name":"Surface and Interface Analysis","volume":null,"pages":null},"PeriodicalIF":1.6000,"publicationDate":"2024-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Surface and Interface Analysis","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1002/sia.7307","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Alloying elements segregating to grain boundaries (GBs) is vital in determining structural stability and mechanical properties of alloys, especially in high‐entropy alloys (HEAs) that consist of multiple elements. However, some details remain unclear, such as the process of varied atoms (Cr and Co) cosegregation to GBs in FeNiCrCo alloy. Therefore, the competition and cooperation between Fe, Ni, Cr, and Co atoms segregating to GBs of FeNiCrCo alloy were investigated via molecular dynamic (MD) simulation. Five [110] symmetric tilt GBs of FeNiCrCo were applied to study the relation between the tendency of atomic segregation especially Cr and Co and GB characters including GB energy and GB excess free volume (GB excess volume). A competitive segregation phenomenon between Cr and Co atoms was discovered, which could be dominated by GB excess volume and different atomic radii among components.
期刊介绍：
Surface and Interface Analysis is devoted to the publication of papers dealing with the development and application of techniques for the characterization of surfaces, interfaces and thin films. Papers dealing with standardization and quantification are particularly welcome, and also those which deal with the application of these techniques to industrial problems. Papers dealing with the purely theoretical aspects of the technique will also be considered. Review articles will be published; prior consultation with one of the Editors is advised in these cases. Papers must clearly be of scientific value in the field and will be submitted to two independent referees. Contributions must be in English and must not have been published elsewhere, and authors must agree not to communicate the same material for publication to any other journal. Authors are invited to submit their papers for publication to John Watts (UK only), Jose Sanz (Rest of Europe), John T. Grant (all non-European countries, except Japan) or R. Shimizu (Japan only).
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