Spatially resolved distribution function and the medium-range order in metallic liquid and glass
Abstract
The structural description of disordered systems has been a longstanding challenge in physical science. We propose an atomic cluster alignment method to reveal the development of three-dimensional topological ordering in a metallic liquid as it undercools to form a glass. By analyzing molecular dynamic (MD) simulation trajectories of a Cu64.5Zr35.5 alloy, we show that medium-range order (MRO) develops in the liquid as it approaches the glass transition. Specifically, around Cu sites, we observe 'Bergman triacontahedron' packing (icosahedron, dodecahedron and icosahedron) that extends out to the fourth shell, forming an interpenetrating backbone network in the glass. The discovery of Bergman-type MRO from our order-mining technique provides unique insights into the topological ordering near the glass transition and the relationship between metallic glasses and quasicrystals.
- Authors:
-
- Ames Lab., and Iowa State Univ., Ames, IA (United States); Univ. of Science and Technology of China, Hefei (China). Hefei National Lab. for Physical Sciences at the Microscale; Univ. of Science and Technology of China, Hefei (China). Dept. of Physics
- Ames Lab., and Iowa State Univ., Ames, IA (United States)
- Univ. of Science and Technology of China, Hefei (China). Hefei National Lab. for Physical Sciences at the Microscale; Univ. of Science and Technology of China, Hefei (China). Dept. of Physics
- Publication Date:
- Research Org.:
- Ames Laboratory (AMES), Ames, IA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1033597
- Report Number(s):
- IS-J-7648
Journal ID: ISSN 2045-2322; TRN: US1200586
- Grant/Contract Number:
- AC02-07CH11358
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 1; Journal Issue: 1; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALIGNMENT; ATOMIC CLUSTERS; COPPER ALLOYS; DISTRIBUTION FUNCTIONS; GLASS; LIQUID METALS; METALLIC GLASSES; MOLECULAR DYNAMICS METHOD; ORDER PARAMETERS; SIMULATION; TRAJECTORIES; ZIRCONIUM ALLOYS
Citation Formats
Fang, Xiaowei, Wang, Cai-Zhuang, Hao, Shaogang, Kramer, Matthew J., Yao, Yongxin, Mendelev, Mikhail I., Ding, Z. J., Napolitano, Ralph E., and Ho, Kai-Ming. Spatially resolved distribution function and the medium-range order in metallic liquid and glass. United States: N. p., 2011.
Web. doi:10.1038/srep00194.
Fang, Xiaowei, Wang, Cai-Zhuang, Hao, Shaogang, Kramer, Matthew J., Yao, Yongxin, Mendelev, Mikhail I., Ding, Z. J., Napolitano, Ralph E., & Ho, Kai-Ming. Spatially resolved distribution function and the medium-range order in metallic liquid and glass. United States. https://doi.org/10.1038/srep00194
Fang, Xiaowei, Wang, Cai-Zhuang, Hao, Shaogang, Kramer, Matthew J., Yao, Yongxin, Mendelev, Mikhail I., Ding, Z. J., Napolitano, Ralph E., and Ho, Kai-Ming. Fri .
"Spatially resolved distribution function and the medium-range order in metallic liquid and glass". United States. https://doi.org/10.1038/srep00194. https://www.osti.gov/servlets/purl/1033597.
@article{osti_1033597,
title = {Spatially resolved distribution function and the medium-range order in metallic liquid and glass},
author = {Fang, Xiaowei and Wang, Cai-Zhuang and Hao, Shaogang and Kramer, Matthew J. and Yao, Yongxin and Mendelev, Mikhail I. and Ding, Z. J. and Napolitano, Ralph E. and Ho, Kai-Ming},
abstractNote = {The structural description of disordered systems has been a longstanding challenge in physical science. We propose an atomic cluster alignment method to reveal the development of three-dimensional topological ordering in a metallic liquid as it undercools to form a glass. By analyzing molecular dynamic (MD) simulation trajectories of a Cu64.5Zr35.5 alloy, we show that medium-range order (MRO) develops in the liquid as it approaches the glass transition. Specifically, around Cu sites, we observe 'Bergman triacontahedron' packing (icosahedron, dodecahedron and icosahedron) that extends out to the fourth shell, forming an interpenetrating backbone network in the glass. The discovery of Bergman-type MRO from our order-mining technique provides unique insights into the topological ordering near the glass transition and the relationship between metallic glasses and quasicrystals.},
doi = {10.1038/srep00194},
journal = {Scientific Reports},
number = 1,
volume = 1,
place = {United States},
year = {Fri Dec 23 00:00:00 EST 2011},
month = {Fri Dec 23 00:00:00 EST 2011}
}
Web of Science
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Works referencing / citing this record:
Two-way tuning of structural order in metallic glasses
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Local structure order in Pd78Cu6Si16 liquid
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Second-Nearest-Neighbor Correlations from Connection of Atomic Packing Motifs in Metallic Glasses and Liquids
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