| CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES |
Prev
Next
|
|
|
Structure and dynamical properties during solidification of liquid aluminum induced by cooling and compression |
| Min Wu(吴旻)1,2, Yong-Qi Yang(杨永琪)1, and Yao Wang(王垚)1,† |
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 |
|
|
|
|
Abstract The structural transformation from a liquid into a crystalline solid is an important subject in condensed matter physics and materials science. In the present study, first-principles molecular dynamics calculations are performed to investigate the structure and properties of aluminum during the solidification which is induced by cooling and compression. In the cooling process and compression process, it is found that the icosahedral short-range order is initially enhanced and then begin to decay, the face-centered cubic short-range order eventually becomes dominant before it transforms into a crystalline solid.
|
Received: 01 February 2024
Revised: 27 March 2024
Accepted manuscript online: 03 April 2024
|
|
PACS:
|
63.20.dk
|
(First-principles theory)
|
| |
31.15.xv
|
(Molecular dynamics and other numerical methods)
|
| |
75.40.-s
|
(Critical-point effects, specific heats, short-range order)
|
| |
61.20.Ja
|
(Computer simulation of liquid structure)
|
|
| Fund: Project supported by the National Natural Science Foundation of China (Grant No. 51701180) and the Foundation of the State Key Laboratory of Coal Conversion, China (Grant No. J22-23-103). |
Corresponding Authors:
Yao Wang
E-mail: wangyao@zjut.edu.cn
|
Cite this article:
Min Wu(吴旻), Yong-Qi Yang(杨永琪), and Yao Wang(王垚) Structure and dynamical properties during solidification of liquid aluminum induced by cooling and compression 2024 Chin. Phys. B 33 076301
|
[1] Poole P H, Grande T, Angell C A and McMillan P F 1997 Science 275 5298
[2] Mishima O and Stanley H E 1998 Nature 396 6709
[3] Wilding M C, Wilson M and McMillan P F 2006 Chem. Soc. Rev. 35 964
[4] Cheng Y Q and Ma E 2011 Prog. Mater. Sci. 56 379
[5] Pan S P, Feng S D, Wang L M, Qiao J W, Niu X F, Dong B S, Wang W M and Qin J Y 2016 Sci. Rep. 6 27708
[6] Wu M, Lou H. B, Tse J S, Liu H Y, Pan Y M, Takahama K, Matsuoka T, Shimizu K and Jiang J Z 2016 Phys. Rev. B 94 054201
[7] Wu M, Liang Y F, Jiang J Z and Tse J S 2012 Sci. Rep. 2 398
[8] Zhong L, Wang J W, Sheng H W, Zhang Z and Mao S X 2014 Nature 512 7513
[9] Boehler R and Ross M 1997 Earth Planet. Sc. Lett. 153 223
[10] Hänström A and Lazor P 2000 J. Alloys Compd. 305 209
[11] Iqbal N, Dijk N H V, Verhoeven V W J, Montfrooij W, Hansen T, Katgerman L and Kearley G J 2003 Acta Mater. 51 15
[12] Jakse N and Pasturel A 2013 Sci. Rep. 3 3135
[13] Sun Y, Zhang F, Yang L, Song H J, Mendelev M I, Wang C Z and Ho K M 2019 Phys. Rev. Mater. 3 023404
[14] Kbirou M, Trady S, Hasnaoui A and Mazroui M 2017 Philos. Mag. 97 30
[15] Jakse N and Pasturel A 2013 J. Phys.: Condens. Matter 25 285103
[16] Rueter H R and Redmer R 2014 Phys. Rev. Lett. 112 145007
[17] Kresse G and Hafner J 1994 J. Phys.: Condens. Matter 6 8245
[18] Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
[19] Blochl P E 1994 Phys. Rev. B 50 17953
[20] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[21] Frenkel D, Smit B and Ratner M A 1997 Phys. Today 50 66
[22] Car R and Parrinello M 1985 Phys. Rev. Lett. 55 2471
[23] Truhlar D G 2010 Phys. Today 63 54
[24] Assael M J, Kakosimos K, Banish R M, Brillo J, Egry I, Brooks R, Quested P N, Mills K C, Nagashima A, Sato Y and Wakeham W A 2006 J. Phys. Chem. Ref. Data 35 285
[25] Sarou-Kanian V, Millot F and Rifflet J C 2003 Int. J. Thermophys. 24 277
[26] Malyshev V P, Makasheva A M and Suleimenov T 2015 Russian Metallurgy (Metally) 2015 443
[27] Fang X W, Wang C Z, Yao Y X, Ding Z J and Ho K M 2010 Phys. Rev. B 82 184204
[28] 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
[29] Frank F C 1952 Proc. R. Soc. Lond. A 215
[30] Hirata A, Kang L J, Fujita T, Klumov B, Matsue K, Kotani M, Yavari A R and Chen M W 2013 Science 341 6144
[31] Li G J, Wang Q, Cao Y Z, Lv X, Li D G and He Y C 2011 Acta Phys. Sin. 60 093601 (in Chinese)
[32] Torquato S and Jiao Y 2009 Phys. Rev. E 80 041104
[33] Nenuwe O N and Osafile O E 2018 J. Appl. Sci. Environ. Manage. 22 519
[34] Demmel F, Szubrin D, Pilgrim W C and Morkel C 2011 Phys. Rev. B 84 014307
[35] Alemany M M G, Gallego L J and González D J 2004 Phys. Rev. B 70 134206
[36] Mason T G 2000 Rheo. Acta 39 371
[37] Alfe D and Gillan M J 1998 Phys. Rev. Lett. 81 5161
[38] Shimoji M and Itami T 1986 Atomic Transport in Liquid Metals (Trans. Tech. Publications Inc.) p. 122 |
| No Suggested Reading articles found! |
|
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
Cited |
|
|
|
|
Altmetric
|
|
blogs
Facebook pages
Wikipedia page
Google+ users
|
Online attention
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
View more on Altmetrics
|
|
|
