Molecular-dynamics simulations on the crystallization of Fe metallic glasses under alternating magnetic field

doi:10.1088/1674-1056/adcb25

中国物理B ›› 2025, Vol. 34 ›› Issue (7): 76402-076402.doi: 10.1088/1674-1056/adcb25

Molecular-dynamics simulations on the crystallization of Fe metallic glasses under alternating magnetic field

Yanxue Wu(吴言雪)¹, Qiang-Qiang Pan(潘强强)¹, Rui Ning(宁睿)¹, and Hailong Peng(彭海龙)^1,2,†

1 School of Materials Science and Engineering, Central South University, Changsha 410083, China;
2 State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China

收稿日期:2025-03-12 修回日期:2025-04-08 接受日期:2025-04-10 出版日期:2025-06-18 发布日期:2025-07-15
通讯作者: Hailong Peng E-mail:hailong.peng@csu.edu.cn
基金资助:
Project supported by the Scientific Research Foundation of the Education Department of Hunan Province, China (Grant No. 24A0007), the National Natural Science Foundation of China (Grant No. 52371168), and the Foundation of Science and Technology on Surface Physics and Chemistry Laboratory (Grant No. JCKYS2024120202).

Molecular-dynamics simulations on the crystallization of Fe metallic glasses under alternating magnetic field

Yanxue Wu(吴言雪)¹, Qiang-Qiang Pan(潘强强)¹, Rui Ning(宁睿)¹, and Hailong Peng(彭海龙)^1,2,†

1 School of Materials Science and Engineering, Central South University, Changsha 410083, China;
2 State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China

Received:2025-03-12 Revised:2025-04-08 Accepted:2025-04-10 Online:2025-06-18 Published:2025-07-15
Contact: Hailong Peng E-mail:hailong.peng@csu.edu.cn
Supported by:
Project supported by the Scientific Research Foundation of the Education Department of Hunan Province, China (Grant No. 24A0007), the National Natural Science Foundation of China (Grant No. 52371168), and the Foundation of Science and Technology on Surface Physics and Chemistry Laboratory (Grant No. JCKYS2024120202).

摘要/Abstract

摘要： We performed the coupled molecular-dynamics and spin dynamics simulations to investigate the magnetic annealing effect on the crystallization behavior of Fe metallic glasses (MGs). By calculating the local five-fold symmetry, Voronoi polyhedron, and bond orientational order parameters, we find a significant structural evolution at high-frequency magnetic annealing: the icosahedral order diminishes, and the crystalline-like order is enhanced, comparing to the case without magnetic field. The fraction of the body-centered cubic structures remarkably increases with the frequency of magnetic annealing, and the atoms of these order show a tendency of aggregating in space to form the crystalline nuclei. These findings unveil how the local structure evolves under magnetic annealing, and the accelerated crystallization process of MGs through alternating magnetic fields.

关键词: metallic glasses, magnetic annealing, crystallization behavior

Abstract: We performed the coupled molecular-dynamics and spin dynamics simulations to investigate the magnetic annealing effect on the crystallization behavior of Fe metallic glasses (MGs). By calculating the local five-fold symmetry, Voronoi polyhedron, and bond orientational order parameters, we find a significant structural evolution at high-frequency magnetic annealing: the icosahedral order diminishes, and the crystalline-like order is enhanced, comparing to the case without magnetic field. The fraction of the body-centered cubic structures remarkably increases with the frequency of magnetic annealing, and the atoms of these order show a tendency of aggregating in space to form the crystalline nuclei. These findings unveil how the local structure evolves under magnetic annealing, and the accelerated crystallization process of MGs through alternating magnetic fields.

Key words: metallic glasses, magnetic annealing, crystallization behavior

中图分类号: (Metallic glasses)

64.70.pe

61.43.-j (Disordered solids)

Yanxue Wu(吴言雪), Qiang-Qiang Pan(潘强强), Rui Ning(宁睿), and Hailong Peng(彭海龙). Molecular-dynamics simulations on the crystallization of Fe metallic glasses under alternating magnetic field[J]. 中国物理B, 2025, 34(7): 76402-076402.

参考文献

[1] Luo T, Huang M, Xu F, Liu H, Huang C, Yue G, Peng Z and Yang Y 2024 J. Non-Cryst. Solids 635 122988
[2] Herzer G 2013 Acta Mater. 61 718
[3] Azuma D, Ito N and Ohta M 2020 J. Magn. Magn. Mater. 501 166373
[4] Zhang Y, Tong X, Yan Y, Cao S, Ke H B and Wang W H 2024 Chin. Phys. B 33 108104
[5] Li W, Wang C, Li L, Zhang C, Ma J, Xi X, Tao K, Qiao J, Yuan C and Wang W 2025 Int. J. Mech. Sci. 287 109960
[6] Abrosimova G, Volkov N, Pershina E, Chirkova V, Sholin I and Aronin A 2021 J. Non-Cryst. Solids 565 120864
[7] Zhang X, Zhang F, Zhang J, Yu W, Zhang M, Zhao J, Liu R, Xu Y and Wang W 1998 J. Appl. Phys. 84 1918
[8] Xu J, Liu X, Wang Y, Wang G, Wang J, Zhou L and Yang Y 2021 J. Alloys Compd. 882 160746
[9] Xu J, Liu X, Wang Y, Shi Q, Wang J, Li K and Yang Y 2022 J. Alloys Compd. 902 163887
[10] Wang C, Wu Z, Feng X, Li Z, Gu Y, Zhang Y, Tan X and Xu H 2020 Intermetallics 118 106689
[11] Cheng Y and Ma E 2011 Prog. Mater. Sci. 56 379
[12] Suzuki K and Herzer G 2012 Scr. Mater. 67 548
[13] Hou L,Wang B, Liu L, Mao X, Zhang M, Yuan C, Li Z, JuW, Feng H, Tang C, Xia A and Li W 2024 J. Mater. Sci. Technol. 200 27
[14] Amirabadizadeh A, Mardani R and Ghanaatshoar M 2016 J. Alloys Compd. 661 501
[15] Li H, Wang A, Liu T, Chen P, He A, Li Q, Luan J and Liu C T 2021 Mater. Today 42 49
[16] Li X, Zhou J, Shen L, Sun B, Bai H and Wang W 2023 Adv. Mater. 35 2205863
[17] Shao L, Bai R, Wu Y, Zhou J, Tong X, Peng H, Liang T, Li Z, Zeng Q and Zhang B 2024 Mater. Futures 3 025301
[18] Wang B, Shang B S, Gao X Q, Sun Y T, Qiao J C, Wang W H, Pan M X and Guan P F 2022 J. Non-Cryst. Solids 576 121247
[19] Liang S, Zhang L, Wang Y, Wang B, Pelletier J and Qiao J 2024 Int. J. Fatigue 187 108446
[20] Zhang J, Zhou Z, Zhang Z, Park M, Yu Q, Li Z, Ma J, Wang A, Huang H and Song M 2022 Mater. Futures 1 012001
[21] Harizanova R, Mihailova I, Georgieva M, Tzankov D, Cherkezova- Zheleva Z, Paneva D, Avramova I, Karashanova D, Avdeev G and Gugov I 2024 J. Non-Cryst. Solids 634 122986
[22] Plimpton S 1995 J. Comput. Phys. 117 1
[23] Ma PW, Dudarev S L andWoo C H 2016 Comput. Phys. Commun. 207 350
[24] Tranchida J, Plimpton S J, Thibaudeau P and Thompson A P 2018 J. Comput. Phys. 372 406
[25] Nieves P, Tranchida J, Arapan S and Legut D 2021 Phys. Rev. B 103 094437
[26] Pajda M, Kudrnovský J, Turek I, Drchal V and Bruno P 2001 Phys. Rev. B 64 174402
[27] Tranchida J, Plimpton S J, Thibaudeau P and Thompson A P 2018 J. Comput. Phys. 372 406
[28] Garcí-Palacios J L and Lázaro F J 1998 Phys. Rev. B 58 14937
[29] Wallace D C, Sidles P and Danielson G 1960 J. Appl. Phys. 31 168
[30] Crangle J and Goodman G 1971 Proc. R. Soc. London, A 321 477
[31] Seki I and Nagata K 2005 ISIJ Int. 45 1789
[32] Basinski Z S, Hume-RotheryWand Sutton A 11955 Proc. R. Soc. London, A 229 459
[33] Touloukian Y S 1970 Thermophys. Prop. Mater. 4 83
[34] Chamati H, Papanicolaou N I, Mishin Y and Papaconstantopoulos D A 2006 Surf. Sci. 600 1793
[35] Kalb J, Spaepen F and Wuttig M 2003 J. Appl. Phys. 93 2389
[36] Da Silva J L, Walsh A, Wei S H and Lee H 2009 J. Appl. Phys. 106 113509
[37] Peng H L, Li M Z and Wang W H 2011 Phys. Rev. Lett. 106 135503
[38] Hirata A, Guan P, Fujita T, Hirotsu Y, Inoue A, Yavari A R, Sakurai T and Chen M 2011 Nat. Mater. 10 28
[39] Qiao Q, Wang J, Cai Z, Feng S, Song Z, Huo B, Li Z and Wang L M 2023 Chin. Phys. B 32 116401
[40] Ma L, Yang X D, Yang F, Zhou X J and Wu Z W 2024 Chin. Phys. B 33 036402
[41] Peng H, Li M and Wang W 2013 Appl. Phys. Lett. 102 131908
[42] Steinhardt P J, Nelson D R and Ronchetti M 1983 Phys. Rev. B 28 784
[43] Rycroft C H 2009 Chaos 19 041111
[44] Lechner W and Dellago C 2008 J. Chem. Phys. 129 114707
[45] Hu Y C and Tanaka H 2022 Nat. Commun. 13 4519
[46] Tong H, Tan P and Xu N 2015 Sci. Rep. 5 15378
[47] MickelW, Kapfer S C, Schröder-Turk G E and Mecke K 2013 J. Chem. Phys. 138 044501
[48] Leocmach M and Tanaka H 2012 Nat. Commun. 3 974

Molecular-dynamics simulations on the crystallization of Fe metallic glasses under alternating magnetic field

Molecular-dynamics simulations on the crystallization of Fe metallic glasses under alternating magnetic field

RichHTML

PDF (PC)

赞

可视化

摘要/Abstract

引用本文

使用本文

参考文献

相关文章 15

Metrics

本文评价

推荐阅读 0

[1]	Dongmei Li(李冬梅), Zhongyi Zhang(张忠一), Bolin Shang(尚博林), Rui Feng(丰睿), Xuefeng Li(李雪枫), and Peng Yu(余鹏). Optimization of glass-forming ability and synergistic enhancement of strength plasticity in Cu₅₀Zr₄₆Al₄ metallic glasses through Ag additions[J]. 中国物理B, 2025, 34(8): 86107-086107.
[2]	Jun Duan(段军), Song-Lin Cai(蔡松林), Gan Ding(丁淦), Lan-Hong Dai(戴兰宏), and Min-Qiang Jiang(蒋敏强). Coupling of quasi-localized and phonon modes in glasses at low frequency[J]. 中国物理B, 2024, 33(5): 56502-056502.
[3]	Tzu-Chia Chen, Mahyuddin KM Nasution, Abdullah Hasan Jabbar, Sarah Jawad Shoja, Waluyo Adi Siswanto, Sigiet Haryo Pranoto, Dmitry Bokov, Rustem Magizov, Yasser Fakri Mustafa, A. Surendar, Rustem Zalilov, Alexandr Sviderskiy, Alla Vorobeva, Dmitry Vorobyev, and Ahmed Alkhayyat. Effect of spatial heterogeneity on level of rejuvenation in Ni₈₀P₂₀ metallic glass[J]. 中国物理B, 2022, 31(9): 96401-096401.
[4]	Shiheng Cui(崔世恒), Huashan Liu(刘华山), and Hailong Peng(彭海龙). Spatial correlation of irreversible displacement in oscillatory-sheared metallic glasses[J]. 中国物理B, 2022, 31(8): 86108-086108.
[5]	Jin-Ai Gao(高津爱), Hai-Shen Huang(黄海深), and Yong-Jun Lü(吕勇军). Hydrogen-induced dynamic slowdown of metallic glass-forming liquids[J]. 中国物理B, 2021, 30(6): 66301-066301.
[6]	Danhong Li(李丹虹), Changyong Jiang(江昌勇), Hui Li(栗慧), and Mahander Pandey. Crystallization evolution and relaxation behavior of high entropy bulk metallic glasses using microalloying process[J]. 中国物理B, 2021, 30(6): 66401-066401.
[7]	陈福川, 代富平, 杨霄熠, 阮莹, 魏炳波. Effect of Sn and Al additions on the microstructure and mechanical properties of amorphous Ti-Cu-Zr-Ni alloys[J]. 中国物理B, 2020, 29(6): 66401-066401.
[8]	江少钦, 黄勇, 李茂枝. Structural evolution in deformation-induced rejuvenation in metallic glasses: A cavity perspective[J]. 中国物理B, 2019, 28(4): 46103-046103.
[9]	李福祥, 孔吉波, 李茂枝. Ab initio molecular dynamics study on the local structures in Ce₇₀Al₃₀ and La₇₀Al₃₀ metallic glasses[J]. 中国物理B, 2018, 27(5): 56102-056102.
[10]	赵林志, 薛荣洁, 汪卫华, 白海洋. LaGa-based bulk metallic glasses[J]. 中国物理B, 2017, 26(1): 18106-018106.
[11]	兰司, 吴桢舵, 王循理. Multiscale structures and phase transitions in metallic glasses: A scattering perspective[J]. 中国物理B, 2017, 26(1): 17104-017104.
[12]	邢秋玮, 张勇. Amorphous phase formation rules in high-entropy alloys[J]. 中国物理B, 2017, 26(1): 18104-018104.
[13]	叶林茂, 武振伟, 刘凯欣, 汤秀章, 熊向明. Generalized model for laser-induced surface structure in metallic glass[J]. 中国物理B, 2016, 25(6): 68104-068104.
[14]	宁帅, 战鹏, 王炜鹏, 李正操, 张政军. Defect characterization and magnetic properties in un-doped ZnO thin film annealed in a strong magnetic field[J]. 中国物理B, 2014, 23(12): 127503-127503.
[15]	Muhammad Imran, Fayyaz Hussain, Muhammad Rashid, Yongqing Cai, S. A. Ahmad. Mechanical behavior of Cu-Zr bulk metallic glasses (BMGs)：A molecular dynamics approach[J]. 中国物理B, 2013, 22(9): 96101-096101.