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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