Nearly golden-ratio order in Ta metallic glass

doi:10.1088/1674-1056/ab773f

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 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 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/Abstract

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)

蒋元祺, 彭平. Nearly golden-ratio order in Ta metallic glass[J]. 中国物理B, 2020, 29(4): 46105-046105.

Yuan-Qi Jiang(蒋元祺), Ping Peng(彭平). Nearly golden-ratio order in Ta metallic glass[J]. Chin. Phys. B, 2020, 29(4): 46105-046105.

参考文献 40

[1]	Klement W, Willens R H and Duwez P 1960 Nature 187 869
[2]	Hirata A, Kang L J, Fujita T, et al. 2013 Science 341 376 doi: 10.1126/science.1232450
[3]	Zeng Q S, Sheng H, Ding Y, et al. 2011 Science 332 1404 doi: 10.1126/science.1200324
[4]	Cheng Y Q and Ma E 2011 Prog. Mater. Sci. 56 379 doi: 10.1016/j.pmatsci.2010.12.002
[5]	Lad K N and Jakse N 2012 J. Chem. Phys. 136 104509 doi: 10.1063/1.3692610
[6]	Ding J, Cheng Y Q and Ma E 2014 Acta Mater. 69 343 doi: 10.1016/j.actamat.2014.02.005
[7]	Jiang Y Q, Peng P, Wen D D, et al. 2015 Comput. Mater. Sci. 99 156 doi: 10.1016/j.commatsci.2014.12.024
[8]	Sheng H W, Luo W K, Alamgir F M, et al. 2006 Nature 439 419 doi: 10.1038/nature04421
[9]	Zhang Y, Zuo T T, Tang Z, et al. 2014 Prog. Mater. Sci. 61 1
[10]	Tong C J, Chen Y L, Chen S K, et al. 2005 Metall. Materials Transactions A 36 881 doi: 10.1007/s11661-005-0283-0
[11]	Singh S, Wanderka N, Murty B S, et al. 2011 Acta Mater. 59 182 doi: 10.1016/j.actamat.2010.09.023
[12]	Guo Y R, Qiao C, Wang J J, et al. 2019 J. Alloys Compd. 790 675 doi: 10.1016/j.jallcom.2019.03.197
[13]	Yang Z J, Tang L and Wen T Q 2019 J. Phys.: Condens. Matter 31 135701 doi: 10.1088/1361-648X/aafd02
[14]	Tang L, Wen T Q and Wang N 2018 Phys. Rev. Materials 2 033601 doi: 10.1103/PhysRevMaterials.2.033601
[15]	Ding J, Ma E, Asta M, et al. 2015 Sci. Rep. 5 17429 doi: 10.1038/srep17429
[16]	Wen D D, Peng P, Jiang Y Q, et al. 2015 J. Non-Cryst. Solids 427 199 doi: 10.1016/j.jnoncrysol.2015.07.019
[17]	Wu Z Z, Mo Y F, Lang L, et al. 2018 Phys. Chem. Chem. Phys. 20 28088 doi: 10.1039/C8CP05897K
[18]	Zhong L, Wang J W, Sheng H W, et al. 2014 Nature 512 177 doi: 10.1038/nature13617
[19]	Zhang J C, Chen C, Pei Q X, et al. 2015 Mater. Des. 77 1 doi: 10.1016/j.matdes.2015.04.002
[20]	Khmich A, Sbiaai K and Hasnaoui A 2019 J. Non-Cryst. Solids 510 81 doi: 10.1016/j.jnoncrysol.2019.01.024
[21]	Jiang D, Wen D D, Tian Z A, et al. 2016 Physica A 463 174 doi: 10.1016/j.physa.2016.07.032
[22]	Yang M H, Li J H and Liu B X 2018 J. Alloys Compd. 757 228 doi: 10.1016/j.jallcom.2018.05.069
[23]	Gangopadhyay A K and Kelton K F 2019 J. Non-Cryst. Solids X 2 100016
[24]	Kresse G and Hafner J 1993 Phys. Rev. B 47 558 doi: 10.1103/PhysRevB.47.558
[25]	Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169 doi: 10.1103/PhysRevB.54.11169
[26]	Kresse G and Hafner J 1994 J. Phys.:Condens. Matter 6 8245 doi: 10.1088/0953-8984/6/40/015
[27]	Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
[28]	Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188 doi: 10.1103/PhysRevB.13.5188
[29]	Plimpton S 1995 J. Comput. Phys. 117 1
[30]	Martyna G J Tobias D J and Klein M L 1994 J. Chem. Phys. 101 4177 doi: 10.1063/1.467468
[31]	Cai J and Ye Y Y 1996 Phys. Rev. B 54 8398 doi: 10.1103/PhysRevB.54.8398
[32]	Wen D D 2015 A Simulation Study on the Heredity and Evolution of Clusters in Liquid Cu-Zr Alloys during the Rapid Solidication (PhD Dissertation) (Changsha: Hunan University)
[33]	Zhang Y, Mattern N and Eckert J 2012 J. Appl. Phys. 111 053520 doi: 10.1063/1.3693303
[34]	Liang Y C, Liu R S, Mo Y F, et al. 2014 J. Alloys Compd. 597 269 doi: 10.1016/j.jallcom.2014.01.052
[35]	Wendt H R and Abraham F F 1978 Phys. Rev. Lett. 41 1244 doi: 10.1103/PhysRevLett.41.1244
[36]	Peng H L, Li M Z and Wang W H 2011 Phys. Rev. Lett. 106 135503 doi: 10.1103/PhysRevLett.106.135503
[37]	Nagel S R and Tauc J 1975 Phys. Rev. Lett. 35 380 doi: 10.1103/PhysRevLett.35.380
[38]	Moruzzi V L, Oelhafen P and Williams A R 1983 Phys. Rev. B 27 7194 doi: 10.1103/PhysRevB.27.7194
[39]	Friedel J and Sayers C M 1977 J. Phys. 38 697 doi: 10.1051/jphys:01977003806069700
[40]	Friedel J 2001 Adv. Phys. 50 539 doi: 10.1080/00018730110102178

Nearly golden-ratio order in Ta metallic glass

Nearly golden-ratio order in Ta metallic glass

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