中国物理B ›› 2020, Vol. 29 ›› Issue (4): 46105-046105.doi: 10.1088/1674-1056/ab773f

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Nearly golden-ratio order in Ta metallic glass

Yuan-Qi Jiang(蒋元祺), Ping Peng(彭平)   

  1. 1 Department of Physics, Nanchang Normal University, Nanchang 330032, China;
    2 College of Physics, Jilin University, Changchun 130012, China;
    3 School of Material Science&Engineering, Hunan University, Changsha 410082, China
  • 收稿日期:2019-11-28 修回日期:2020-02-10 出版日期:2020-04-05 发布日期:2020-04-05
  • 通讯作者: Yuan-Qi Jiang E-mail:yuanqi325@163.com
  • 基金资助:
    Project supported by Qinglan Scholars Program of Nanchang Normal University and Natural Science Foundation (Grant No. 20171BAB216001), Scientific Research Project of Education Department of Jiangxi Province, China (Grant Nos. GJJ191114, GJJ161242, and GJJ171110), and the National Natural Science Foundation of China (Grant No. 51871096).

Nearly golden-ratio order in Ta metallic glass

Yuan-Qi Jiang(蒋元祺)1,2, Ping Peng(彭平)3   

  1. 1 Department of Physics, Nanchang Normal University, Nanchang 330032, China;
    2 College of Physics, Jilin University, Changchun 130012, China;
    3 School of Material Science&Engineering, Hunan University, Changsha 410082, China
  • Received:2019-11-28 Revised:2020-02-10 Online:2020-04-05 Published:2020-04-05
  • Contact: Yuan-Qi Jiang E-mail:yuanqi325@163.com
  • Supported by:
    Project supported by Qinglan Scholars Program of Nanchang Normal University and Natural Science Foundation (Grant No. 20171BAB216001), Scientific Research Project of Education Department of Jiangxi Province, China (Grant Nos. GJJ191114, GJJ161242, and GJJ171110), and the National Natural Science Foundation of China (Grant No. 51871096).

摘要: The formation of mono-atomic tantalum (Ta) metallic glass (MG) through ultrafast liquid cooling is investigated by ab-initio molecular dynamics (MD) simulations. It is found that there exists nearly golden ratio order (NGRO) between the nearest and second nearest atoms in Ta MG, which has been indirectly confirmed by Khmich et al. and Liang et al.. The NGRO is another universal structural feature in metallic glass besides the local five-fold symmetry (LFFS). Further analyzing of electronic structure shows that the obvious orientation of covalent bond could be attributed to the NGRO in amorphous Ta at 300 K.

关键词: nearly golden ratio order (NGRO), metallic glass, tantalum, ab-initio molecular dynamics (MD) simulation

Abstract: The formation of mono-atomic tantalum (Ta) metallic glass (MG) through ultrafast liquid cooling is investigated by ab-initio molecular dynamics (MD) simulations. It is found that there exists nearly golden ratio order (NGRO) between the nearest and second nearest atoms in Ta MG, which has been indirectly confirmed by Khmich et al. and Liang et al.. The NGRO is another universal structural feature in metallic glass besides the local five-fold symmetry (LFFS). Further analyzing of electronic structure shows that the obvious orientation of covalent bond could be attributed to the NGRO in amorphous Ta at 300 K.

Key words: nearly golden ratio order (NGRO), metallic glass, tantalum, ab-initio molecular dynamics (MD) simulation

中图分类号:  (Liquid metals and alloys)

  • 61.25.Mv
64.60.Cn (Order-disorder transformations)