Atomic origin of minor alloying element effect on glass forming ability of metallic glass

doi:10.1088/1674-1056/ada756

中国物理B ›› 2025, Vol. 34 ›› Issue (3): 36105-036105.doi: 10.1088/1674-1056/ada756

Atomic origin of minor alloying element effect on glass forming ability of metallic glass

Shan Zhang(张珊)^1,2, Qingan Li(李庆安)¹, Yong Yang(杨勇)^2,†, and Pengfei Guan(管鹏飞)^1,3,‡

1 Beijing Computational Science Research Center, Beijing 100193, China;
2 Department of Mechanical Engineering, College of Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong, Kowloon, Hong Kong, China;
3 Advanced Interdisciplinary Sciences Research (AiR) Center, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, China

收稿日期:2024-10-17 修回日期:2024-12-25 接受日期:2025-01-08 发布日期:2025-03-15
通讯作者: Yong Yang, Pengfei Guan E-mail:yongyang@cityu.edu.hk;pguan@nimte.ac.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. T2325004 and 52161160330).

Atomic origin of minor alloying element effect on glass forming ability of metallic glass

Shan Zhang(张珊)^1,2, Qingan Li(李庆安)¹, Yong Yang(杨勇)^2,†, and Pengfei Guan(管鹏飞)^1,3,‡

1 Beijing Computational Science Research Center, Beijing 100193, China;
2 Department of Mechanical Engineering, College of Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong, Kowloon, Hong Kong, China;
3 Advanced Interdisciplinary Sciences Research (AiR) Center, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, China

Received:2024-10-17 Revised:2024-12-25 Accepted:2025-01-08 Published:2025-03-15
Contact: Yong Yang, Pengfei Guan E-mail:yongyang@cityu.edu.hk;pguan@nimte.ac.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. T2325004 and 52161160330).

摘要/Abstract

摘要： The glass-forming ability (GFA) of metallic glasses is a key scientific challenge in their development and application, with compositional dependence playing a crucial role. Experimental studies have demonstrated that the addition of specific minor elements can greatly enhance the GFA of parent alloys, yet the underlying mechanism remains unclear. In this study, we use the ZrCuAl system as a model to explore how the addition of minor Al influences the crystallization rate by modulating the properties of the crystal-liquid interface, thereby affecting the GFA. The results reveal that the minor addition of Al significantly reduces the crystal growth rate, a phenomenon not governed by particle density fluctuations at the interface. The impact of minor element additions extends beyond a modest increase in crystal-unfavorable motifs in the bulk supercooled liquid. More importantly, it leads to a significant enrichment of these motifs at the crystal-supercooled liquid interface, forming a dense topological network of crystal-unfavorable structures that effectively prevent the growth of the crystalline interface and enhance GFA. Our results provide valuable insights for the design and development of high-performance metallic glasses.

关键词: metallic glass, glass forming ability, interface structure, molecular dynamics (MD)

Abstract: The glass-forming ability (GFA) of metallic glasses is a key scientific challenge in their development and application, with compositional dependence playing a crucial role. Experimental studies have demonstrated that the addition of specific minor elements can greatly enhance the GFA of parent alloys, yet the underlying mechanism remains unclear. In this study, we use the ZrCuAl system as a model to explore how the addition of minor Al influences the crystallization rate by modulating the properties of the crystal-liquid interface, thereby affecting the GFA. The results reveal that the minor addition of Al significantly reduces the crystal growth rate, a phenomenon not governed by particle density fluctuations at the interface. The impact of minor element additions extends beyond a modest increase in crystal-unfavorable motifs in the bulk supercooled liquid. More importantly, it leads to a significant enrichment of these motifs at the crystal-supercooled liquid interface, forming a dense topological network of crystal-unfavorable structures that effectively prevent the growth of the crystalline interface and enhance GFA. Our results provide valuable insights for the design and development of high-performance metallic glasses.

Key words: metallic glass, glass forming ability, interface structure, molecular dynamics (MD)

中图分类号: (Glasses)

61.43.Fs

68.35.Ct (Interface structure and roughness) 81.05.Kf (Glasses (including metallic glasses))

Shan Zhang(张珊), Qingan Li(李庆安), Yong Yang(杨勇), and Pengfei Guan(管鹏飞). Atomic origin of minor alloying element effect on glass forming ability of metallic glass[J]. 中国物理B, 2025, 34(3): 36105-036105.

Shan Zhang(张珊), Qingan Li(李庆安), Yong Yang(杨勇), and Pengfei Guan(管鹏飞). Atomic origin of minor alloying element effect on glass forming ability of metallic glass[J]. Chin. Phys. B, 2025, 34(3): 36105-036105.

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Atomic origin of minor alloying element effect on glass forming ability of metallic glass

Atomic origin of minor alloying element effect on glass forming ability of metallic glass

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