Unveiling the medium-range order in glass models and its role in glass formation
Abstract
The correlation between structure and glass formability in glassy systems is a long-standing puzzle. To solve this puzzle, many descriptors based on the short-range order (SRO) have been proposed. In this paper we show that the SRO, however, offers little help in explaining the glass formability and stability; instead it is the formation of medium-range order that stabilizes the glass against crystallization by suppressing the atomic rearrangement and compositional change. Our results provide a perspective for understanding the correlation between structure and stability in glasses.
- Authors:
-
- Southern Univ. of Science and Technology (China); Hong Kong Univ. of Science and Technology, Kowloon, Hong Kong (China)
- Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States); Columbia Univ., New York, NY (United States)
- Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
- Hong Kong Univ. of Science and Technology, Kowloon, Hong Kong (China)
- Southern Univ. of Science and Technology (China)
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Natural Science Foundation of China (NSFC); Shenzhen Basic Research Fund
- OSTI Identifier:
- 1635532
- Report Number(s):
- IS-J-10,246
Journal ID: ISSN 2469-9950; TRN: US2201580
- Grant/Contract Number:
- 11774142; JCYJ20170817105132549; JCYJ20180504165817769; JCYJ20170817105201098; AC02-07CH11358
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 101; Journal Issue: 21; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE
Citation Formats
Fan, Xinyu, Sun, Yang, Wang, Cai-Zhuang, Ho, Kai-Ming, Altman, M. S., and Huang, Li. Unveiling the medium-range order in glass models and its role in glass formation. United States: N. p., 2020.
Web. doi:10.1103/physrevb.101.214104.
Fan, Xinyu, Sun, Yang, Wang, Cai-Zhuang, Ho, Kai-Ming, Altman, M. S., & Huang, Li. Unveiling the medium-range order in glass models and its role in glass formation. United States. https://doi.org/10.1103/physrevb.101.214104
Fan, Xinyu, Sun, Yang, Wang, Cai-Zhuang, Ho, Kai-Ming, Altman, M. S., and Huang, Li. Thu .
"Unveiling the medium-range order in glass models and its role in glass formation". United States. https://doi.org/10.1103/physrevb.101.214104. https://www.osti.gov/servlets/purl/1635532.
@article{osti_1635532,
title = {Unveiling the medium-range order in glass models and its role in glass formation},
author = {Fan, Xinyu and Sun, Yang and Wang, Cai-Zhuang and Ho, Kai-Ming and Altman, M. S. and Huang, Li},
abstractNote = {The correlation between structure and glass formability in glassy systems is a long-standing puzzle. To solve this puzzle, many descriptors based on the short-range order (SRO) have been proposed. In this paper we show that the SRO, however, offers little help in explaining the glass formability and stability; instead it is the formation of medium-range order that stabilizes the glass against crystallization by suppressing the atomic rearrangement and compositional change. Our results provide a perspective for understanding the correlation between structure and stability in glasses.},
doi = {10.1103/physrevb.101.214104},
journal = {Physical Review B},
number = 21,
volume = 101,
place = {United States},
year = {2020},
month = {6}
}
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Works referenced in this record:
Locally preferred structure in simple atomic liquids
journal, October 2003
- Mossa, S.; Tarjus, G.
- The Journal of Chemical Physics, Vol. 119, Issue 15
‘Crystal Genes’ in Metallic Liquids and Glasses
journal, March 2016
- Sun, Yang; Zhang, Feng; Ye, Zhuo
- Scientific Reports, Vol. 6, Issue 1
Crystal phases of a glass-forming Lennard-Jones mixture
journal, January 2003
- Fernández, Julián R.; Harrowell, Peter
- Physical Review E, Vol. 67, Issue 1
Glass Forming Ability in Systems with Competing Orderings
journal, May 2018
- Russo, John; Romano, Flavio; Tanaka, Hajime
- Physical Review X, Vol. 8, Issue 2
Strong geometric frustration in model glassformers
journal, January 2015
- Royall, C. Patrick; Malins, Alex; Dunleavy, Andrew J.
- Journal of Non-Crystalline Solids, Vol. 407
Effects of sub- T g annealing on Cu 64.5 Zr 35.5 glasses: A molecular dynamics study
journal, February 2014
- Zhang, Feng; Mendelev, M. I.; Zhang, Yue
- Applied Physics Letters, Vol. 104, Issue 6
Anomalously slow crystal growth of the glass-forming alloy CuZr
journal, April 2013
- Tang, Chunguang; Harrowell, Peter
- Nature Materials, Vol. 12, Issue 6
Assessing the utility of structure in amorphous materials
journal, March 2019
- Wei, Dan; Yang, Jie; Jiang, Min-Qiang
- The Journal of Chemical Physics, Vol. 150, Issue 11
Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture I: The van Hove correlation function
journal, May 1995
- Kob, Walter; Andersen, Hans C.
- Physical Review E, Vol. 51, Issue 5
The role of local structure in dynamical arrest
journal, February 2015
- Royall, C. Patrick; Williams, Stephen R.
- Physics Reports, Vol. 560
Dynamic arrest and glass formation induced by self-aggregation of icosahedral clusters in Zr Cu alloys
journal, August 2011
- Hao, S. G.; Wang, C. Z.; Li, M. Z.
- Physical Review B, Vol. 84, Issue 6
Medium-range icosahedral order in quasicrystal-forming Zr2Pd binary metallic glass
journal, June 2011
- Huang, Li; Fang, X. W.; Wang, C. Z.
- Applied Physics Letters, Vol. 98, Issue 23
Molecular-dynamics study of a supercooled two-component Lennard-Jones system
journal, September 1991
- Wahnström, Göran
- Physical Review A, Vol. 44, Issue 6
Microstructural evolutions and fractal characteristics in medium range level in AlxNi100-x alloys during rapid solidification process
journal, May 2018
- Trady, S.; Mazroui, M.; Hasnaoui, A.
- Journal of Alloys and Compounds, Vol. 744
Medium range order evolution in pressurized sub-Tg annealing of Cu64Zr36 metallic glass
journal, February 2018
- Foroughi, Alireza; Tavakoli, Rouhollah; Aashuri, Hossein
- Journal of Non-Crystalline Solids, Vol. 481
Phase Diagram of Kob-Andersen-Type Binary Lennard-Jones Mixtures
journal, April 2018
- Pedersen, Ulf R.; Schrøder, Thomas B.; Dyre, Jeppe C.
- Physical Review Letters, Vol. 120, Issue 16
The role of fivefold symmetry in suppressing crystallization
journal, October 2016
- Taffs, Jade; Patrick Royall, C.
- Nature Communications, Vol. 7, Issue 1
Short- and medium-range order in amorphous metallic alloy
journal, March 2010
- Huang, Li; Wang, C. Z.; Hao, S. G.
- Physical Review B, Vol. 81, Issue 9
Crystallization Instability in Glass-Forming Mixtures
journal, August 2019
- Ingebrigtsen, Trond S.; Dyre, Jeppe C.; Schrøder, Thomas B.
- Physical Review X, Vol. 9, Issue 3
Atomic packing and short-to-medium-range order in metallic glasses
journal, January 2006
- Sheng, H. W.; Luo, W. K.; Alamgir, F. M.
- Nature, Vol. 439, Issue 7075
Short and medium-range orders in Co3Al metallic glass
journal, September 2018
- Kbirou, M.; Trady, S.; Hasnaoui, A.
- Chemical Physics, Vol. 513
Direct observation of local atomic order in a metallic glass
journal, November 2010
- Hirata, Akihiko; Guan, Pengfei; Fujita, Takeshi
- Nature Materials, Vol. 10, Issue 1
Five-fold symmetry as indicator of dynamic arrest in metallic glass-forming liquids
journal, September 2015
- Hu, Y. C.; Li, F. X.; Li, M. Z.
- Nature Communications, Vol. 6, Issue 1
Molecular Geometry Optimization with a Genetic Algorithm
journal, July 1995
- Deaven, D. M.; Ho, K. M.
- Physical Review Letters, Vol. 75, Issue 2
Short- and medium-range order in Zr Pt liquids
journal, May 2011
- Mauro, N. A.; Wessels, V.; Bendert, J. C.
- Physical Review B, Vol. 83, Issue 18
Atomistic cluster alignment method for local order mining in liquids and glasses
journal, November 2010
- Fang, X. W.; Wang, C. Z.; Yao, Y. X.
- Physical Review B, Vol. 82, Issue 18
Correlation between Dynamic Heterogeneity and Medium-Range Order in Two-Dimensional Glass-Forming Liquids
journal, November 2007
- Kawasaki, Takeshi; Araki, Takeaki; Tanaka, Hajime
- Physical Review Letters, Vol. 99, Issue 21
Are hints about glass forming ability hidden in the liquid structure?
journal, June 2019
- Wang, Juan; Agrawal, Anupriya; Flores, Katharine
- Acta Materialia, Vol. 171
Interplay between crystallization and glass transition in binary Lennard-Jones mixtures
journal, September 2013
- Banerjee, Atreyee; Chakrabarty, Suman; Bhattacharyya, Sarika Maitra
- The Journal of Chemical Physics, Vol. 139, Issue 10
Structural hierarchy as a key to complex phase selection in Al-Sm
journal, October 2017
- Ye, Z.; Zhang, F.; Sun, Y.
- Physical Review Materials, Vol. 1, Issue 5
Short-range ordering in metallic supercooled liquids and glasses
journal, January 2019
- Wang, Jian Guo; Chang, Chun Tao; Song, Kai Kai
- Journal of Alloys and Compounds, Vol. 770
Structural evolution and kinetics in Cu-Zr metallic liquids from molecular dynamics simulations
journal, October 2013
- Ward, Logan; Miracle, Dan; Windl, Wolfgang
- Physical Review B, Vol. 88, Issue 13
Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy
journal, July 2016
- Nandi, Ujjwal Kumar; Banerjee, Atreyee; Chakrabarty, Suman
- The Journal of Chemical Physics, Vol. 145, Issue 3
An adaptive genetic algorithm for crystal structure prediction
journal, December 2013
- Wu, S. Q.; Ji, M.; Wang, C. Z.
- Journal of Physics: Condensed Matter, Vol. 26, Issue 3
Complex alloy structures regarded as sphere packings. I. Definitions and basic principles
journal, March 1958
- Frank, F. C.; Kasper, J. S.
- Acta Crystallographica, Vol. 11, Issue 3
Fractal atomic-level percolation in metallic glasses
journal, September 2015
- Chen, D. Z.; Shi, C. Y.; An, Q.
- Science, Vol. 349, Issue 6254
Structural signature of slow dynamics and dynamic heterogeneity in two-dimensional colloidal liquids: glassy structural order
journal, April 2011
- Kawasaki, Takeshi; Tanaka, Hajime
- Journal of Physics: Condensed Matter, Vol. 23, Issue 19
Kinetic stability and energetics of simulated glasses createdby constant pressure cooling
journal, November 2016
- Staley, Hannah; Flenner, Elijah; Szamel, Grzegorz
- The Journal of Chemical Physics, Vol. 145, Issue 18
Power-law scaling and fractal nature of medium-range order in metallic glasses
journal, December 2008
- Ma, D.; Stoica, A. D.; Wang, X. -L.
- Nature Materials, Vol. 8, Issue 1
Hierarchical structures of amorphous solids characterized by persistent homology
journal, June 2016
- Hiraoka, Yasuaki; Nakamura, Takenobu; Hirata, Akihiko
- Proceedings of the National Academy of Sciences, Vol. 113, Issue 26
Effects of dopants on the glass forming ability in Al-based metallic alloy
journal, February 2019
- Sun, Yang; Zhang, Feng; Yang, Lin
- Physical Review Materials, Vol. 3, Issue 2