Unveiling the early stage evolution of local atomic structures in the crystallization process of a metallic glass

doi:10.1088/1674-1056/ad24d6

中国物理B ›› 2024, Vol. 33 ›› Issue (3): 36402-036402.doi: 10.1088/1674-1056/ad24d6

所属专题： SPECIAL TOPIC — States and new effects in nonequilibrium

Unveiling the early stage evolution of local atomic structures in the crystallization process of a metallic glass

Lin Ma(马琳)^†, Xiao-Dong Yang(杨晓东)^†, Feng Yang(杨锋), Xin-Jia Zhou(周鑫嘉), and Zhen-Wei Wu(武振伟)^‡

Institute of Nonequilibrium Systems, School of Systems Science, Beijing Normal University, Beijing 100875, China

收稿日期:2023-11-27 修回日期:2024-01-22 接受日期:2024-02-01 出版日期:2024-02-22 发布日期:2024-03-06
通讯作者: Zhen-Wei Wu E-mail:zwwu@bnu.edu.cn
基金资助:
This work was supported by the National Natural Science Foundation of China (Grant Nos. 52031016 and 11804027).

Unveiling the early stage evolution of local atomic structures in the crystallization process of a metallic glass

Lin Ma(马琳)^†, Xiao-Dong Yang(杨晓东)^†, Feng Yang(杨锋), Xin-Jia Zhou(周鑫嘉), and Zhen-Wei Wu(武振伟)^‡

Institute of Nonequilibrium Systems, School of Systems Science, Beijing Normal University, Beijing 100875, China

Received:2023-11-27 Revised:2024-01-22 Accepted:2024-02-01 Online:2024-02-22 Published:2024-03-06
Contact: Zhen-Wei Wu E-mail:zwwu@bnu.edu.cn
Supported by:
This work was supported by the National Natural Science Foundation of China (Grant Nos. 52031016 and 11804027).

摘要/Abstract

摘要： The early stage evolution of local atomic structures in a multicomponent metallic glass during its crystallization process has been investigated via molecular dynamics simulation. It is found that the initial thermal stability and earliest stage evolution of the local atomic clusters show no strong correlation with their initial short-range orders, and this leads to an observation of a novel symmetry convergence phenomenon, which can be understood as an atomic structure manifestation of the ergodicity. Furthermore, in our system we have quantitatively proved that the crucial factor for the thermal stability against crystallization exhibited by the metallic glass is not the total amount of icosahedral clusters, but the degree of global connectivity among them.

关键词: metallic glass, crystallization, molecular dynamics simulation, local atomic clusters

Abstract: The early stage evolution of local atomic structures in a multicomponent metallic glass during its crystallization process has been investigated via molecular dynamics simulation. It is found that the initial thermal stability and earliest stage evolution of the local atomic clusters show no strong correlation with their initial short-range orders, and this leads to an observation of a novel symmetry convergence phenomenon, which can be understood as an atomic structure manifestation of the ergodicity. Furthermore, in our system we have quantitatively proved that the crucial factor for the thermal stability against crystallization exhibited by the metallic glass is not the total amount of icosahedral clusters, but the degree of global connectivity among them.

Key words: metallic glass, crystallization, molecular dynamics simulation, local atomic clusters

中图分类号: (Metallic glasses)

64.70.pe

68.55.A- (Nucleation and growth) 64.60.aq (Networks)

Lin Ma(马琳), Xiao-Dong Yang(杨晓东), Feng Yang(杨锋), Xin-Jia Zhou(周鑫嘉), and Zhen-Wei Wu(武振伟). Unveiling the early stage evolution of local atomic structures in the crystallization process of a metallic glass[J]. 中国物理B, 2024, 33(3): 36402-036402.

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Unveiling the early stage evolution of local atomic structures in the crystallization process of a metallic glass

Unveiling the early stage evolution of local atomic structures in the crystallization process of a metallic glass

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