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Statistical composition-structure-property correlation and glass-forming ability based on the full icosahedra in Cu-Zr metallic glasses
被引:81
作者:
Sha, Z. D.
[1
]
Feng, Y. P.
[1
]
Li, Y.
[2
]
机构:
[1] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore
[2] Natl Univ Singapore, Dept Mat Sci & Engn, Singapore 117576, Singapore
关键词:
copper alloys;
correlation methods;
glass structure;
metallic glasses;
molecular dynamics method;
statistical analysis;
vitrification;
zirconium alloys;
ATOMIC PACKING;
ORDER;
D O I:
10.1063/1.3310278
中图分类号:
O59 [应用物理学];
学科分类号:
摘要:
Using the large-scale atomic/molecular massively parallel simulator, fraction of the Cu-centered << 0,0,12,0 >> full icosahedra (f(ico)) is obtained from a statistical analysis over a broad compositional range with high resolution in the Cu-Zr binary system. Weak but significant peaks are observed at certain compositions which coincide with good glass formers. This correlation implies that the change in f(ico) is a fundamental structural factor in determining the ease of glass formation. In this regard, f(ico) can be an indicator of glass-forming ability. Our work provides further understanding on the atomic structure of the Cu-Zr system and its effect on glass formation.
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页数:3
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