Influence of cluster correlation on nanoclusters in Fe-Ni amorphous alloys
Influence of cluster correlation on nanoclusters in Fe-Ni amorphous alloys
复制标题
Fe-Ni非晶合金中团簇相关性对纳米团簇的影响
DOI：
10.1016/j.jallcom.2021.161953
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发表时间：
2022-01
影响因子：
6.2
通讯作者：
高廷红
中科院分区：
文献类型：
--
作者：
梁永超;先刚;高廷红
为了研究快速凝固过程中团簇关联指数与纳米团簇的关系，对FexNi(100−x)(40 ≤x≤ 80)非晶合金进行了分子动力学模拟研究。用新发展的最大标准团簇分析方法(LSCA)研究了六种常见的具有很大相似性的无定形团簇。利用关联指数分析了纳米团簇的空间分布，并将其分为强相关团簇和弱相关团簇，定量研究了两个不同相关团簇对纳米团簇形成的影响。结果表明，自关联的Z14关联指数最强，且随Fe含量的增加而增大，而A13与D-A13的关联指数最弱，随Fe含量的增加而不明显。此外，富Fe合金由于具有较强的关联指数，更容易聚集形成堆积密度较高的大尺寸纳米团簇。
To investigate the relationship between cluster correlation index and nanoclusters during rapid solidification, a molecular dynamics (MD) simulation study has been performed for FexNi(100−x)(40 ≤x≤ 80) amorphous alloys. Six kinds of common amorphous clusters with great similarity are explored by the newly developed Largest Standard Cluster Analysis (LSCA). The spatial distribution of clusters is analyzed by the correlation index, which is divided into strongly correlated clusters and weakly correlated clusters, and the effects of two different correlation clusters on the formation of nanoclusters are quantitatively researched. The results reveal that the Z14 correlation index of own connection is the strongest and increases with the increase of Fe content, while the correlation index between A13 and D-A13 is the weakest and it is not obvious with the increase of Fe content. In addition, Fe-rich alloys are more likely to congregate to form large-sized nanoclusters with high packing density due to the strong correlation index.
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