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(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.
(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.
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.
(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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