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Title: A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases

Here, the Al–Sm system is selected as a model system to study the transition process from liquid and amorphous to crystalline states. In recent work, we have shown that, in addition to long-range translational periodicity, crystal structures display well-defined short-range local atomic packing motifs that transcends liquid, amorphous and crystalline states. In this paper, we investigate the longer range spatial packing of these short-range motifs by studying the interconnections of Sm–Sm networks in different amorphous and crystalline samples obtained from molecular dynamics simulations. In our analysis, we concentrate on Sm–Sm distances in the range ~5.0–7.2 Å, corresponding to Sm atoms in the second and third shells of Sm-centred clusters. We discover a number of empirical rules characterising the evolution of Sm networks from the liquid and amorphous states to associated metastable crystalline phases experimentally observed in the initial stages of devitrification of different amorphous samples. As direct simulation of glass formation is difficult because of the vast difference between experimental quench rates and what is achievable on the computer, we hope these rules will be helpful in building a better picture of structural evolution during glass formation as well as a more detailed description of phase selection and growth duringmore » devitrification.« less
Authors:
ORCiD logo [1] ;  [2] ; ORCiD logo [2] ;  [2] ; ORCiD logo [3] ;  [4] ;  [2] ;  [5]
  1. Univ. of Science and Technology of China, Hefei (China); Ames Lab., Ames, IA (United States)
  2. Ames Lab., Ames, IA (United States)
  3. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  4. Univ. of Science and Technology of China, Hefei (China)
  5. Ames Lab. and Iowa State Univ., Ames, IA (United States); Univ. of Science and Technology of China, Anhui (China)
Publication Date:
Report Number(s):
IS-J-9614
Journal ID: ISSN 0950-0839
Grant/Contract Number:
AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
Philosophical Magazine Letters
Additional Journal Information:
Journal Name: Philosophical Magazine Letters; Journal ID: ISSN 0950-0839
Publisher:
Taylor & Francis
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Al–Sm system; liquid; amorphous; glassy and crystalline states; molecular dynamics simulations; medium-range order
OSTI Identifier:
1434309

Lv, Xiaobao, Ye, Zhuo, Sun, Yang, Zhang, Feng, Yang, Lin, Lin, Zijing, Wang, Cai -Zhuang, and Ho, Kai -Ming. A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases. United States: N. p., Web. doi:10.1080/09500839.2018.1447157.
Lv, Xiaobao, Ye, Zhuo, Sun, Yang, Zhang, Feng, Yang, Lin, Lin, Zijing, Wang, Cai -Zhuang, & Ho, Kai -Ming. A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases. United States. doi:10.1080/09500839.2018.1447157.
Lv, Xiaobao, Ye, Zhuo, Sun, Yang, Zhang, Feng, Yang, Lin, Lin, Zijing, Wang, Cai -Zhuang, and Ho, Kai -Ming. 2018. "A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases". United States. doi:10.1080/09500839.2018.1447157.
@article{osti_1434309,
title = {A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases},
author = {Lv, Xiaobao and Ye, Zhuo and Sun, Yang and Zhang, Feng and Yang, Lin and Lin, Zijing and Wang, Cai -Zhuang and Ho, Kai -Ming},
abstractNote = {Here, the Al–Sm system is selected as a model system to study the transition process from liquid and amorphous to crystalline states. In recent work, we have shown that, in addition to long-range translational periodicity, crystal structures display well-defined short-range local atomic packing motifs that transcends liquid, amorphous and crystalline states. In this paper, we investigate the longer range spatial packing of these short-range motifs by studying the interconnections of Sm–Sm networks in different amorphous and crystalline samples obtained from molecular dynamics simulations. In our analysis, we concentrate on Sm–Sm distances in the range ~5.0–7.2 Å, corresponding to Sm atoms in the second and third shells of Sm-centred clusters. We discover a number of empirical rules characterising the evolution of Sm networks from the liquid and amorphous states to associated metastable crystalline phases experimentally observed in the initial stages of devitrification of different amorphous samples. As direct simulation of glass formation is difficult because of the vast difference between experimental quench rates and what is achievable on the computer, we hope these rules will be helpful in building a better picture of structural evolution during glass formation as well as a more detailed description of phase selection and growth during devitrification.},
doi = {10.1080/09500839.2018.1447157},
journal = {Philosophical Magazine Letters},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {4}
}