Crystal genes in a marginal glass-forming system of Ni50Zr50
Abstract
Glass-forming motifs with B2 traits are found. A perfect Ni-centered B33 motif deteriorates the glass-forming ability of Ni50Zr50. The marginal glass-forming ability (GFA) of binary Ni-Zr system is an issue to be explained considering the numerous bulk metallic glasses (BMGs) found in the Cu-Zr system. Using molecular dynamics, the structures and dynamics of Ni50Zr50 metallic liquid and glass are investigated at the atomistic level. To achieve a well-relaxed glassy sample, sub-Tg annealing method is applied and the final sample is closer to the experiments than the models prepared by continuous cooling. With the state-of-the-art structural analysis tools such as cluster alignment and pair-wise alignment methods, two glass-forming motifs with some mixed traits of the metastable B2 crystalline phase and the crystalline Ni-centered B33 motif are found to be dominant in the undercooled liquid and glass samples. A new chemical order characterization on each short-range order (SRO) structure is accomplished based on the cluster alignment method. The significant amount of the crystalline motif and the few icosahedra in the glassy sample deteriorate the GFA.
- Authors:
-
[3];
[5]
- Northwestern Polytechnical Univ., Xi'an (China). MOE Key Lab. of Materials Physics and Chemistry under Extraordinary Conditions, School of Natural and Applied Sciences; Ames Lab. and Iowa State Univ., Ames, IA (United States)
- Ames Lab. and Iowa State Univ., Ames, IA (United States); Zhejiang Univ., Hangzhou (China). Dept. of Applied Physics, College of Science
- Ames Lab. and Iowa State Univ., Ames, IA (United States)
- Ames Lab. and Iowa State Univ., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
- Northwestern Polytechnical Univ., Xi'an (China). MOE Key Lab. of Materials Physics and Chemistry under Extraordinary Conditions, School of Natural and Applied Sciences
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1415792
- Report Number(s):
- IS-J-9517
Journal ID: ISSN 1463-9076; PPCPFQ; TRN: US1800851
- Grant/Contract Number:
- 11304279; 11364007; 51271149; 51671160; AC02-07CH11358
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Chemistry Chemical Physics. PCCP
- Additional Journal Information:
- Journal Volume: 19; Journal Issue: 45; Journal ID: ISSN 1463-9076
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Wen, T. Q., Tang, L., Sun, Y., Ho, K. M., Wang, C. Z., and Wang, N. Crystal genes in a marginal glass-forming system of Ni50Zr50. United States: N. p., 2017.
Web. doi:10.1039/C7CP05976K.
Wen, T. Q., Tang, L., Sun, Y., Ho, K. M., Wang, C. Z., & Wang, N. Crystal genes in a marginal glass-forming system of Ni50Zr50. United States. https://doi.org/10.1039/C7CP05976K
Wen, T. Q., Tang, L., Sun, Y., Ho, K. M., Wang, C. Z., and Wang, N. Tue .
"Crystal genes in a marginal glass-forming system of Ni50Zr50". United States. https://doi.org/10.1039/C7CP05976K. https://www.osti.gov/servlets/purl/1415792.
@article{osti_1415792,
title = {Crystal genes in a marginal glass-forming system of Ni50Zr50},
author = {Wen, T. Q. and Tang, L. and Sun, Y. and Ho, K. M. and Wang, C. Z. and Wang, N.},
abstractNote = {Glass-forming motifs with B2 traits are found. A perfect Ni-centered B33 motif deteriorates the glass-forming ability of Ni50Zr50. The marginal glass-forming ability (GFA) of binary Ni-Zr system is an issue to be explained considering the numerous bulk metallic glasses (BMGs) found in the Cu-Zr system. Using molecular dynamics, the structures and dynamics of Ni50Zr50 metallic liquid and glass are investigated at the atomistic level. To achieve a well-relaxed glassy sample, sub-Tg annealing method is applied and the final sample is closer to the experiments than the models prepared by continuous cooling. With the state-of-the-art structural analysis tools such as cluster alignment and pair-wise alignment methods, two glass-forming motifs with some mixed traits of the metastable B2 crystalline phase and the crystalline Ni-centered B33 motif are found to be dominant in the undercooled liquid and glass samples. A new chemical order characterization on each short-range order (SRO) structure is accomplished based on the cluster alignment method. The significant amount of the crystalline motif and the few icosahedra in the glassy sample deteriorate the GFA.},
doi = {10.1039/C7CP05976K},
journal = {Physical Chemistry Chemical Physics. PCCP},
number = 45,
volume = 19,
place = {United States},
year = {Tue Oct 17 00:00:00 EDT 2017},
month = {Tue Oct 17 00:00:00 EDT 2017}
}
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Works referencing / citing this record:
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