中国物理B ›› 2021, Vol. 30 ›› Issue (11): 116103-116103.doi: 10.1088/1674-1056/abfd9d

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Accurate prediction method for the microstructure of amorphous alloys without non-metallic elements

Wei Zhao(赵伟)1,2,3,†, Jia-Lin Cheng(成家林)1,3, Gong Li(李工)2, and Xin Wang(王辛)4   

  1. 1 School of Materials Science and Engineering, Nanjing Institute of Technology, Nanjing 211167, China;
    2 State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China;
    3 Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology, Nanjing 211167, China;
    4 School of Materials Science and Engineering, Harbin University of Science and Technology, Harbin 150080, China
  • 收稿日期:2021-02-01 修回日期:2021-04-27 接受日期:2021-05-01 出版日期:2021-10-13 发布日期:2021-10-27
  • 通讯作者: Wei Zhao E-mail:zw19860610@163.com
  • 基金资助:
    Project supported by Excellent Youth Foundation of Jiangsu Scientific Committee, China (Grant No. BK20180106), the National Natural Science Foundation of China (Grant No. 51804091), Industry-University-Research Cooperation Project of Jiangsu Province, China (Grant No. BY2020383), and Opening Project of State Key Laboratory of Metastable Materials Science and Technology (Grant No. 201910).

Accurate prediction method for the microstructure of amorphous alloys without non-metallic elements

Wei Zhao(赵伟)1,2,3,†, Jia-Lin Cheng(成家林)1,3, Gong Li(李工)2, and Xin Wang(王辛)4   

  1. 1 School of Materials Science and Engineering, Nanjing Institute of Technology, Nanjing 211167, China;
    2 State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China;
    3 Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology, Nanjing 211167, China;
    4 School of Materials Science and Engineering, Harbin University of Science and Technology, Harbin 150080, China
  • Received:2021-02-01 Revised:2021-04-27 Accepted:2021-05-01 Online:2021-10-13 Published:2021-10-27
  • Contact: Wei Zhao E-mail:zw19860610@163.com
  • Supported by:
    Project supported by Excellent Youth Foundation of Jiangsu Scientific Committee, China (Grant No. BK20180106), the National Natural Science Foundation of China (Grant No. 51804091), Industry-University-Research Cooperation Project of Jiangsu Province, China (Grant No. BY2020383), and Opening Project of State Key Laboratory of Metastable Materials Science and Technology (Grant No. 201910).

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摘要： A new structural parameter of amorphous alloys called atomic bond proportion was proposed, and a topological algorithm for the structural parameter was proven feasible in the previous work. In the present study, a correction factor, λ, is introduced to optimize the algorithm and dramatically improve the calculation accuracy of the atomic bond proportion. The correction factor represents the ability of heterogeneous atoms to combine with one another to form the metallic bonds and it is associated with the uniformity of the master alloy, mixing enthalpy, cooling rate during preparation, and annealing time. The correction factor provides a novel pathway for researching the structures of the amorphous alloys.

关键词: atomic bond proportion, correction factor, amorphous materials, microstructure

Abstract: A new structural parameter of amorphous alloys called atomic bond proportion was proposed, and a topological algorithm for the structural parameter was proven feasible in the previous work. In the present study, a correction factor, λ, is introduced to optimize the algorithm and dramatically improve the calculation accuracy of the atomic bond proportion. The correction factor represents the ability of heterogeneous atoms to combine with one another to form the metallic bonds and it is associated with the uniformity of the master alloy, mixing enthalpy, cooling rate during preparation, and annealing time. The correction factor provides a novel pathway for researching the structures of the amorphous alloys.

Key words: atomic bond proportion, correction factor, amorphous materials, microstructure

中图分类号:  (Amorphous semiconductors, metals, and alloys)

  • 61.43.Dq
05.10.Gg (Stochastic analysis methods) 36.40.Sx (Diffusion and dynamics of clusters)