铁镍铬钴合金中铬和钴在晶界的竞争性偏析

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2024-04-09 DOI:10.1002/sia.7307

Weiwei Zhang, Li Huang, Jing Liang, Yanchao Li, Wei Bai, Benqi Jiao, Dongxiao Kan, Jianfeng Li, Wen Zhang

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引用次数: 0

摘要

合金元素偏析到晶界（GBs）对决定合金的结构稳定性和机械性能至关重要，尤其是在由多种元素组成的高熵合金（HEAs）中。然而，一些细节仍不清楚，例如铁镍铬钴合金中不同原子（铬和钴）共聚集到 GB 的过程。因此，我们通过分子动力学（MD）模拟研究了铁镍铬钴合金中铁、镍、铬和钴原子偏析到 GBs 的竞争与合作过程。应用铁镍铬钴合金的五个 [110] 对称倾斜 GB 来研究原子偏析倾向（尤其是 Cr 和 Co）与 GB 特性（包括 GB 能量和 GB 过剩自由体积）之间的关系。发现了铬原子和钴原子之间的竞争性偏析现象，这可能是由 GB 过剩体积和各成分之间不同的原子半径主导的。

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Competitive segregation to grain boundaries between Cr and Co in FeNiCrCo alloy

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.

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.