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Special Issue:
SPECIAL TOPIC — John Tse: Pioneer in high-pressure materials science
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| SPECIAL TOPIC — John Tse: Pioneer in high-pressure materials science |
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Pressure induced atomic packing evolution and crystallization in La75Al25 metallic glass |
| Pingfei Deng(邓平飞)1,2,3, Suwan Wei(魏苏皖)1,2,3, Wangyang Ruan(阮王阳)1,2,3, and Min Wu(吴旻)1,2,3,† |
1 College of Materials Science and Engineering, Zhejiang University of Technology, Hangzhou 310014, China;
2 Shaoxing Research Institute, Zhejiang University of Technology, Shaoxing 312000, China;
3 State Key Laboratory of Advanced Separation Membrane Materials, Hangzhou 310014, China |
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Abstract The pressure-induced structural transformation in metallic glass (MG) is a challenging and important subject in condensed matter physics. In the present first-principles molecular dynamics study, the atomic packing of La$_{75}$Al$_{25}$ MG under pressure was investigated, and the structure was predicted to crystallize at 92 GPa. It is found that the distributions of La and Al atoms are not homogeneous, as often assumed. In particular, Al atoms form aggregates in the glass structure, exhibiting strong covalent characteristics of the Al-Al bonds. The pressure-induced crystallization is not only caused by the dominant packing of the larger La atoms but is also facilitated by the presence of these rigid Al clusters.
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Received: 04 February 2026
Revised: 11 March 2026
Accepted manuscript online: 13 March 2026
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PACS:
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81.05.Kf
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(Glasses (including metallic glasses))
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62.50.-p
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(High-pressure effects in solids and liquids)
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31.15.xv
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(Molecular dynamics and other numerical methods)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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| Fund: This work was supported by the National Natural Science Foundation of China (Grant No. 51701180). |
Corresponding Authors:
Min Wu
E-mail: wum@zjut.edu.cn
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Cite this article:
Pingfei Deng(邓平飞), Suwan Wei(魏苏皖), Wangyang Ruan(阮王阳), and Min Wu(吴旻) Pressure induced atomic packing evolution and crystallization in La75Al25 metallic glass 2026 Chin. Phys. B 35 058101
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[1] Chen X J, Struzhkin V V, Song Y and Hemley R J 2008 Proc. Natl. Acad. Sci. 105 20
[2] Yoo C S, Cynn H, Gygi F, Galli G, Iota V, Nicol M, Carlson S, Häusermann D and Mailhiot C 1999 Phys. Rev. Lett. 83 5527
[3] Rueff J P, Kao C C, Struzhkin V V, Badro J, Shu J, Hemley R J and Mao H K 1999 Phys. Rev. Lett. 82 3284
[4] Deb S K, Wilding M, Somayazulu M and McMillan P F 2001 Nature 414 528
[5] Tulk C A, Hart R, Klug D D, Benmore C J and Neuefeind J 2006 Phys. Rev. Lett. 97 115503
[6] Itie J P, Polian A, Galas G, Petiau J, Fontaine A and Tolentino H 1989 Phys. Rev. Lett. 63 398
[7] Crichton W A, Mezouar M, Grande T, Stolen S and Grzechnik A 2001 Nature 414 622
[8] McMillan P F, Wilson M, Daisenberger D and Machon D 2005 Nat. Mater. 4 680
[9] Sheng H W, Luo W K, Alamgir F M, Bai J M and Ma E 2006 Nature 439 419
[10] Li G, Wang Y Y, Liaw P K, Li Y C and Liu R P 2012 Phys. Rev. Lett. 109 125501
[11] Zeng Q S, Struzhkin V V, Fang Y Z, Gao C X, Luo H B, Wang X D, Lathe C, Mao W L and Wu F M 2010 Phys. Rev. B 82 054111
[12] Sheng H W, Liu H Z, Cheng Y Q, Wen J, Lee P L, Luo W K, Shastri S D and Ma E 2007 Nat. Mater. 6 192
[13] Zeng Q S, Ding Y, Mao W L, Yang W, Sinogeikin S V, Shu J F, Mao H K and Jiang J Z 2010 Phys. Rev. Lett. 104 105702
[14] Hafner J and Jaswal S S 1988 Phys. Rev. B 38 7320
[15] Lou H B, Fang Y K, Zeng Q S, Lu Y H, Wang X D, Cao Q P, Yang K, Yu X H, Zheng L, Zhao Y D, Chu W S, Hu Z Y, Ahuja R and Jiang J Z 2012 Sci. Rep. 2 376
[16] Zeng Q S, Li Y C, Feng C M and Jiang J Z 2007 Proc. Natl. Acad. Sci. USA 104 13565
[17] Wu M, Tse J S,Wang S Y,Wang C Z and Jiang J Z 2015 Nat. Commun. 6 6493
[18] Sheng HW, Ma E, Liu H Z andWen J 2006 Appl. Phys. Lett. 88 171906
[19] Kresse G and Hafner J 1994 J. Phys. Condens. Matter 6 8245
[20] Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
[21] Blochl P E 1994 Phys. Rev. B 50 17953
[22] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[23] Frenkel D, Smit B and Ratner M A 1997 Phys. Today 50 66
[24] Car R and Parrinello M 1985 Phys. Rev. Lett. 55 2471
[25] Truhlar D G 2010 Phys. Today 63 54
[26] Fang XW,Wang C Z, Yao Y X, Ding Z J and Ho K M 2010 Phys. Rev. B 82 184204
[27] Sun Y, Zhang F, Ye Z, Zhang Y, Fang X W, Ding Z J, Wang C Z, Mendelev M I, Ott R T, Kramer M J and Ho K M 2016 Sci. Rep. 6 23734
[28] Rousseau R and Tse J S 1999 Prog. Theor. Phys. Suppl. 138 47 |
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