skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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:
ORCiD logo [1]; ORCiD logo [2];  [3];  [3];  [4]; ORCiD logo [5]
  1. Southern Univ. of Science and Technology (China); Hong Kong Univ. of Science and Technology, Kowloon, Hong Kong (China)
  2. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States); Columbia Univ., New York, NY (United States)
  3. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
  4. Hong Kong Univ. of Science and Technology, Kowloon, Hong Kong (China)
  5. 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 (NNSFC); Shenzhen Basic Research Fund
OSTI Identifier:
1635532
Report Number(s):
IS-J-10,246
Journal ID: ISSN 2469-9950
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. https://doi.org/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}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Save / Share:

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
  • DOI: 10.1063/1.1604380

‘Crystal Genes’ in Metallic Liquids and Glasses
journal, March 2016

  • Sun, Yang; Zhang, Feng; Ye, Zhuo
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep23734

Crystal phases of a glass-forming Lennard-Jones mixture
journal, January 2003


Glass Forming Ability in Systems with Competing Orderings
journal, May 2018


Strong geometric frustration in model glassformers
journal, January 2015


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
  • DOI: 10.1063/1.4864652

Anomalously slow crystal growth of the glass-forming alloy CuZr
journal, April 2013

  • Tang, Chunguang; Harrowell, Peter
  • Nature Materials, Vol. 12, Issue 6
  • DOI: 10.1038/nmat3631

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
  • DOI: 10.1063/1.5064531

Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture I: The van Hove correlation function
journal, May 1995


The role of local structure in dynamical arrest
journal, February 2015


Dynamic arrest and glass formation induced by self-aggregation of icosahedral clusters in Zr 1 x Cu x alloys
journal, August 2011


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
  • DOI: 10.1063/1.3597302

Molecular-dynamics study of a supercooled two-component Lennard-Jones system
journal, September 1991


Medium range order evolution in pressurized sub-Tg annealing of Cu64Zr36 metallic glass
journal, February 2018


Phase Diagram of Kob-Andersen-Type Binary Lennard-Jones Mixtures
journal, April 2018


The role of fivefold symmetry in suppressing crystallization
journal, October 2016

  • Taffs, Jade; Patrick Royall, C.
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms13225

Short- and medium-range order in amorphous Zr 2 Ni metallic alloy
journal, March 2010


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
  • DOI: 10.1103/PhysRevX.9.031016

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
  • DOI: 10.1038/nature04421

Short and medium-range orders in Co3Al metallic glass
journal, September 2018


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
  • DOI: 10.1038/nmat2897

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
  • DOI: 10.1038/ncomms9310

Molecular Geometry Optimization with a Genetic Algorithm
journal, July 1995


Short- and medium-range order in Zr 80 Pt 20 liquids
journal, May 2011


Atomistic cluster alignment method for local order mining in liquids and glasses
journal, November 2010


Correlation between Dynamic Heterogeneity and Medium-Range Order in Two-Dimensional Glass-Forming Liquids
journal, November 2007


Are hints about glass forming ability hidden in the liquid structure?
journal, June 2019


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
  • DOI: 10.1063/1.4820402

Structural hierarchy as a key to complex phase selection in Al-Sm
journal, October 2017


Short-range ordering in metallic supercooled liquids and glasses
journal, January 2019


Structural evolution and kinetics in Cu-Zr metallic liquids from molecular dynamics simulations
journal, October 2013


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
  • DOI: 10.1063/1.4958630

An adaptive genetic algorithm for crystal structure prediction
journal, December 2013


Complex alloy structures regarded as sphere packings. I. Definitions and basic principles
journal, March 1958


Fractal atomic-level percolation in metallic glasses
journal, September 2015


Structural signature of slow dynamics and dynamic heterogeneity in two-dimensional colloidal liquids: glassy structural order
journal, April 2011


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
  • DOI: 10.1063/1.4967337

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
  • DOI: 10.1038/nmat2340

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
  • DOI: 10.1073/pnas.1520877113

Effects of dopants on the glass forming ability in Al-based metallic alloy
journal, February 2019