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

IF 1.6 4区化学 Q4 CHEMISTRY, PHYSICAL

Surface and Interface Analysis 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

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.

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铁镍铬钴合金中铬和钴在晶界的竞争性偏析

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。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Surface and Interface Analysis 化学-物理化学

CiteScore

3.30

自引率

5.90%

发文量

130

审稿时长

4.4 months

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).