On the origin of second-peak splitting in the static structure factor of metallic glasses

B.W. van de Waal

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It is proposed that the splitting of the second peak of the total static structure factor, S(k), of many metallic glasses is essentially the same feature as the indentation at kσ = (9/2)π in the function (sin k σ + α−1 sin kασ), caused by the coincidence of the fourth minimum of the second term with the third maximum of the first term when α ≈ 5/3. Together with the strong-weak relation of the split peak components of S(k), this feature indicates the splitting to be direct evidence for face-sharing of regular tetrahedra (α = 2√2/3) dominating the topological short range order; increasing the number of face-sharing tetrahedra in local structural units indeed increases the amount of peak splitting in S(k); a dense random packing of well defined identical structural units (DRPSU), with neighbouring units linked together by a shared icosahedron, is described in detail. The packing fraction in a homogeneous, isotropic 1078-atom model is 0.67, after static relaxation under a two-body Lennard-Jones potential.
Original languageUndefined
Pages (from-to)118-128
Number of pages11
JournalJournal of non-crystalline solids
Issue number189
Publication statusPublished - 1995


  • METIS-128911
  • IR-24112

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