计算物理 ›› 2025, Vol. 42 ›› Issue (1): 90-97.DOI: 10.19596/j.cnki.1001-246x.8779

• 论文 • 上一篇    下一篇

Ag-Cu合金微结构演化与玻璃形成能力研究

谭恒博1(), 戚双祥2, 陈贝3, 高明1, 文大东1, 刘涛3, 邓永和1,*()   

  1. 1. 湖南工程学院计算科学与电子学院, 湖南 湘潭 411104
    2. 宁波东大神乐电工合金有限公司, 浙江 宁波 315506
    3. 吉首大学物理与机电工程学院, 湖南 吉首 416000
  • 收稿日期:2023-06-12 出版日期:2025-01-25 发布日期:2025-03-08
  • 通讯作者: 邓永和
  • 作者简介:

    谭恒博, 男, 硕士研究生, 研究方向为非晶合金微结构分析, E-mail:

  • 基金资助:
    湖南省自然科学基金(2021JJ50115); 湖南省自然科学基金(2021JJ30179); 湖南省教育厅科学研究项目(22A0522); 湖南省研究生创新项目(CX20221118)

Study of Glass Formation Ability and Evolution of Microstructure of Ag-Cu Alloy

Hengbo TAN1(), Shuangxiang QI2, Bei CHEN3, Ming GAO1, Dadong WEN1, Tao LIU3, Yonghe DENG1,*()   

  1. 1. School of Computational Science and Electronics, Hunan Institute of Engineering, Xiangtan, Hunan 411104, China
    2. Ningbo Dongda Shenle Electrical Alloy CO., LTD, Ningbo, Zhejiang 315506, China
    3. School of Physics and Mechanical & Electrical Engineering, Jishou University, Jishou, Hunan 416000, China
  • Received:2023-06-12 Online:2025-01-25 Published:2025-03-08
  • Contact: Yonghe DENG

摘要:

采用分子动力学方法模拟研究液态Ag-Cu合金在不同溶质浓度下快凝过程, 并通过双体分布函数、Honeycutt-Andersen键型指数和扩展团簇类型指数法(CTIM)对其微结构演化特性进行分析。结果表明: Ag-Cu快凝玻璃合金的主要键型为1551键, 有明显的局域5次对称性, 主要原子组态以正则二十面体团簇(12 12/1551)为主, Ag60Cu40的遗传分数最高, 玻璃形成能力最强。

关键词: Ag-Cu合金, 微结构, 演化, 遗传分数, 玻璃形成能力

Abstract:

The rapid solidification process of liquid Ag-Cu alloy at different solute concentrations are simulated by molecular dynamics method. The microstructure evolution characteristic of Ag-Cu alloy is analyzed by two-body distribution function, Honeycutt-Andersen bond type index and extended cluster type index method (CTIM). The results show that the main bond type of Ag-Cu quick setting glass alloy is 1551, and the local quintic symmetry are obvious. The main atomic configuration is icosahedral clusters, in which the regular icosahedral cluster (12 12/1551) is dominant. The highest heritable fraction f of Ag-Cu corresponds to the transition temperature of reduced glass, which proves that Ag60Cu40 has the best amorphous forming ability.

Key words: Ag-Cu alloy, microstructure, evolution, heritable fraction, glass forming ability