Al-centered icosahedral ordering in Cu46Zr46Al 8 bulk metallic glass

H. Z. Fang, X. Hui, G. L. Chen, Zi-kui Liu

Research output: Contribution to journalArticle

48 Citations (Scopus)

Abstract

Icosahedral short-range order, of which Al atoms are caged in the center of icosahedra with Cu and Zr atoms being the vertices, has been evidenced in the Cu46Zr46Al8 glassy structure by ab initio molecular dynamics simulation. These Al-centered clusters distribute irregularly in the three-dimensional space and form a "backbone" structure of the Cu46Zr46Al8 glass alloy. It is suggested that this kind of local structural feature is attributed to the requirement of efficient dense packing and the chemical affinity between Zr-Zr, Zr-Al, and Cu-Zr atoms. Our calculated results are found to be in good agreement with the experimental data.

Original languageEnglish (US)
Article number091904
JournalApplied Physics Letters
Volume94
Issue number9
DOIs
StatePublished - Mar 18 2009

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metallic glasses
atoms
affinity
apexes
molecular dynamics
requirements
glass
simulation

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)

Cite this

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abstract = "Icosahedral short-range order, of which Al atoms are caged in the center of icosahedra with Cu and Zr atoms being the vertices, has been evidenced in the Cu46Zr46Al8 glassy structure by ab initio molecular dynamics simulation. These Al-centered clusters distribute irregularly in the three-dimensional space and form a {"}backbone{"} structure of the Cu46Zr46Al8 glass alloy. It is suggested that this kind of local structural feature is attributed to the requirement of efficient dense packing and the chemical affinity between Zr-Zr, Zr-Al, and Cu-Zr atoms. Our calculated results are found to be in good agreement with the experimental data.",
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Al-centered icosahedral ordering in Cu46Zr46Al 8 bulk metallic glass. / Fang, H. Z.; Hui, X.; Chen, G. L.; Liu, Zi-kui.

In: Applied Physics Letters, Vol. 94, No. 9, 091904, 18.03.2009.

Research output: Contribution to journalArticle

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AU - Fang, H. Z.

AU - Hui, X.

AU - Chen, G. L.

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