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Title: Three-dimensional atomic packing in amorphous solids with liquid-like structure

Abstract

Liquids and solids are two fundamental states of matter. However, our understanding of their three-dimensional atomic structure is mostly based on physical models. Here we use atomic electron tomography to experimentally determine the three-dimensional atomic positions of monatomic amorphous solids, namely a Ta thin film and two Pd nanoparticles. We observe that pentagonal bipyramids are the most abundant atomic motifs in these amorphous materials. Instead of forming icosahedra, the majority of pentagonal bipyramids arrange into pentagonal bipyramid networks with medium-range order. Molecular dynamics simulations further reveal that pentagonal bipyramid networks are prevalent in monatomic metallic liquids, which rapidly grow in size and form more icosahedra during the quench from the liquid to the glass state. Furthermore, these results expand our understanding of the atomic structures of amorphous solids and will encourage future studies on amorphous–crystalline phase and glass transitions in non-crystalline materials with three-dimensional atomic resolution.

Authors:
 [1]; ORCiD logo [1];  [1]; ORCiD logo [1];  [1]; ORCiD logo [2]; ORCiD logo [1];  [1];  [1]; ORCiD logo [2]; ORCiD logo [3];  [3]; ORCiD logo [1]
  1. Univ. of California, Los Angeles, CA (United States)
  2. Brown Univ., Providence, RI (United States)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Univ. of California, Los Angeles, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division
OSTI Identifier:
1831088
Grant/Contract Number:  
SC0010378; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Nature Materials
Additional Journal Information:
Journal Volume: 21; Journal ID: ISSN 1476-1122
Publisher:
Springer Nature - Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Glasses; Nanoparticles; Structure of solids and liquids; Transmission electron microscopy

Citation Formats

Yuan, Yakun, Kim, Dennis S., Zhou, Jihan, Chang, Dillan J., Zhu, Fan, Nagaoka, Yasutaka, Yang, Yao, Pham, Minh, Osher, Stanley J., Chen, Ou, Ercius, Peter, Schmid, Andreas K., and Miao, Jianwei. Three-dimensional atomic packing in amorphous solids with liquid-like structure. United States: N. p., 2021. Web. doi:10.1038/s41563-021-01114-z.
Yuan, Yakun, Kim, Dennis S., Zhou, Jihan, Chang, Dillan J., Zhu, Fan, Nagaoka, Yasutaka, Yang, Yao, Pham, Minh, Osher, Stanley J., Chen, Ou, Ercius, Peter, Schmid, Andreas K., & Miao, Jianwei. Three-dimensional atomic packing in amorphous solids with liquid-like structure. United States. https://doi.org/10.1038/s41563-021-01114-z
Yuan, Yakun, Kim, Dennis S., Zhou, Jihan, Chang, Dillan J., Zhu, Fan, Nagaoka, Yasutaka, Yang, Yao, Pham, Minh, Osher, Stanley J., Chen, Ou, Ercius, Peter, Schmid, Andreas K., and Miao, Jianwei. Mon . "Three-dimensional atomic packing in amorphous solids with liquid-like structure". United States. https://doi.org/10.1038/s41563-021-01114-z. https://www.osti.gov/servlets/purl/1831088.
@article{osti_1831088,
title = {Three-dimensional atomic packing in amorphous solids with liquid-like structure},
author = {Yuan, Yakun and Kim, Dennis S. and Zhou, Jihan and Chang, Dillan J. and Zhu, Fan and Nagaoka, Yasutaka and Yang, Yao and Pham, Minh and Osher, Stanley J. and Chen, Ou and Ercius, Peter and Schmid, Andreas K. and Miao, Jianwei},
abstractNote = {Liquids and solids are two fundamental states of matter. However, our understanding of their three-dimensional atomic structure is mostly based on physical models. Here we use atomic electron tomography to experimentally determine the three-dimensional atomic positions of monatomic amorphous solids, namely a Ta thin film and two Pd nanoparticles. We observe that pentagonal bipyramids are the most abundant atomic motifs in these amorphous materials. Instead of forming icosahedra, the majority of pentagonal bipyramids arrange into pentagonal bipyramid networks with medium-range order. Molecular dynamics simulations further reveal that pentagonal bipyramid networks are prevalent in monatomic metallic liquids, which rapidly grow in size and form more icosahedra during the quench from the liquid to the glass state. Furthermore, these results expand our understanding of the atomic structures of amorphous solids and will encourage future studies on amorphous–crystalline phase and glass transitions in non-crystalline materials with three-dimensional atomic resolution.},
doi = {10.1038/s41563-021-01114-z},
journal = {Nature Materials},
number = ,
volume = 21,
place = {United States},
year = {2021},
month = {10}
}

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