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Strong correlation of atomic thermal motion in the first coordination shell of a Cu-Zr metallic glass
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10.1063/1.4792752
/content/aip/journal/apl/102/8/10.1063/1.4792752
http://aip.metastore.ingenta.com/content/aip/journal/apl/102/8/10.1063/1.4792752
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(a) The total g(r) of the Cu50Zr50 MG at various temperatures from 300 to 700 K. The arrows indicate schematically the cutoffs of the first four CSs. (b) The corresponding TECs calculated by the peak shifts of the first four CSs and the change in the box length. The lines are guides to eye.

Image of FIG. 2.
FIG. 2.

(a) Definitions of MSRD (Δu 2) and its two components: parallel (Δu 2) and perpendicular MSRD (Δu 2). Atom 0 and atom j were seperated by a distance R at the beginning. After a certain time interval, atom 0 and atom j have displacements u 0 and u j , respectively. The interatomic distance becomes r. The relative displacement is therefore Δu  =  u j  −  u 0 . Δu can be decomposed into Δu and Δu , which are parallel along and perpendicular to the bond direciton, respectively (bold letters denote vectors). (b) The correlation between 〈Δu 2〉 and 〈Δu 2〉, where a deviation from vibrational isotropy can be clearly obsearved in the first CS. The lines are guides to eye.

Image of FIG. 3.
FIG. 3.

The anisotropy of relative vibrations of (a) Cu–Cu, (b) Zr–Zr, and (c) Cu–Zr interatomic bonds in Cu50Zr50 MG, together with the (d) total anisotropy.

Image of FIG. 4.
FIG. 4.

(a) The distribution of CN in the three groups of clusters and in the whole Cu50Zr50 MG at 300 K. (b) A schematic drawing of the bond-stretching and tension effect caused by parallel and perpendicular vibrations, respectively. (c) A snapshot of the Cu50Zr50 MG at 300 K; atoms are colored accoding to its γ value. Only the atoms with consistent nearest neighbor enviorment were present.

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/content/aip/journal/apl/102/8/10.1063/1.4792752
2013-02-25
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Strong correlation of atomic thermal motion in the first coordination shell of a Cu-Zr metallic glass
http://aip.metastore.ingenta.com/content/aip/journal/apl/102/8/10.1063/1.4792752
10.1063/1.4792752
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