Investigation of partitionless growth of ε -Al 60 Sm 11 phase in Al-10 at% Sm liquid
Abstract
Recent experiments on devitrification of Al90Sm10 amorphous alloys revealed an unusual polymorphic transformation to a complex cubic crystal structure called the ε-Al60Sm11 phase. Molecular dynamics simulations of the growth of the stoichiometric ε-phase seed in contact with an undercooled Al-10 at% Sm liquid are performed to elucidate the microscopic process of transformation. The as-grown crystal and undercooled liquid possess similar local order around Al atoms whereas a rigid network defined by the Sm sub-lattice develops during the growth. Using a template-cluster alignment method, we define an order parameter to characterize the structural evolution in the system. Estimates of the attachment rate is $${R}_{{\rm{a}}}=8.70\times {10}^{-4}$$ Å-2 ns-1 and detachment rate is $${R}_{{\rm{d}}}=3.83\times {10}^{-4}$$ Å-2 ns-1 at the interface between ε-Al60Sm11 and Al-10 at% Sm liquid at 800 K.
- Authors:
-
[1];
[4];
- Ames Lab., Ames, IA (United States); Univ. of Science and Technology of China, Hefei (China). Hefei National Lab. for Physical Sciences at the Microscale
- Ames Lab., Ames, IA (United States)
- Univ. of Science and Technology of China, Hefei (China). Hefei National Lab. for Physical Sciences at the Microscale
- Ames Lab., Ames, IA (United States) ; Iowa State Univ., Ames, IA (United States). Dept. of Physics
- Ames Lab., Ames, IA (United States); Univ. of Science and Technology of China, Hefei (China). Hefei National Lab. for Physical Sciences at the Microscale; Iowa State Univ., Ames, IA (United States). Dept. of Physics
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1411952
- Report Number(s):
- IS-J-9478
Journal ID: ISSN 0965-0393; TRN: US1800288
- Grant/Contract Number:
- AC02-07CH11358; 11574289
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Modelling and Simulation in Materials Science and Engineering
- Additional Journal Information:
- Journal Volume: 26; Journal Issue: 1; Journal ID: ISSN 0965-0393
- Publisher:
- IOP Publishing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Sun, Yang, Ye, Zhuo, Zhang, Feng, Jun Ding, Ze, Wang, Cai-Zhuang, Kramer, Matthew J., and Ho, Kai-Ming. Investigation of partitionless growth of ε -Al 60 Sm 11 phase in Al-10 at% Sm liquid. United States: N. p., 2017.
Web. doi:10.1088/1361-651X/aa9747.
Sun, Yang, Ye, Zhuo, Zhang, Feng, Jun Ding, Ze, Wang, Cai-Zhuang, Kramer, Matthew J., & Ho, Kai-Ming. Investigation of partitionless growth of ε -Al 60 Sm 11 phase in Al-10 at% Sm liquid. United States. doi:10.1088/1361-651X/aa9747.
Sun, Yang, Ye, Zhuo, Zhang, Feng, Jun Ding, Ze, Wang, Cai-Zhuang, Kramer, Matthew J., and Ho, Kai-Ming. Fri .
"Investigation of partitionless growth of ε -Al 60 Sm 11 phase in Al-10 at% Sm liquid". United States. doi:10.1088/1361-651X/aa9747. https://www.osti.gov/servlets/purl/1411952.
@article{osti_1411952,
title = {Investigation of partitionless growth of ε -Al 60 Sm 11 phase in Al-10 at% Sm liquid},
author = {Sun, Yang and Ye, Zhuo and Zhang, Feng and Jun Ding, Ze and Wang, Cai-Zhuang and Kramer, Matthew J. and Ho, Kai-Ming},
abstractNote = {Recent experiments on devitrification of Al90Sm10 amorphous alloys revealed an unusual polymorphic transformation to a complex cubic crystal structure called the ε-Al60Sm11 phase. Molecular dynamics simulations of the growth of the stoichiometric ε-phase seed in contact with an undercooled Al-10 at% Sm liquid are performed to elucidate the microscopic process of transformation. The as-grown crystal and undercooled liquid possess similar local order around Al atoms whereas a rigid network defined by the Sm sub-lattice develops during the growth. Using a template-cluster alignment method, we define an order parameter to characterize the structural evolution in the system. Estimates of the attachment rate is ${R}_{{\rm{a}}}=8.70\times {10}^{-4}$ Å-2 ns-1 and detachment rate is ${R}_{{\rm{d}}}=3.83\times {10}^{-4}$ Å-2 ns-1 at the interface between ε-Al60Sm11 and Al-10 at% Sm liquid at 800 K.},
doi = {10.1088/1361-651X/aa9747},
journal = {Modelling and Simulation in Materials Science and Engineering},
number = 1,
volume = 26,
place = {United States},
year = {2017},
month = {12}
}
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Figure 1: Summary of the different 29Si chemical shifts previously assigned to various silicon and silica surface species. 9, 14, 16-18, 21-22, 32-34, 39-45, 47-53 “Q Sites” refer to (Si-O)4-xSi(OH)x and “T Sites” refer to (Si-O)3-x(OH)xSiR
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Works referencing / citing this record:
A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases
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Percolated Strain Networks and Universal Scaling Properties of Strain Glasses
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