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


Waal, Benjamin W. van de (1995) On the origin of second-peak splitting in the static structure factor of metallic glasses. Journal of Non-Crystalline Solids, 189 (1-2). pp. 118-128. ISSN 0022-3093

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Abstract: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.

Item Type:Article
Copyright:© 1995 Elsevier Science
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Link to this item:http://purl.utwente.nl/publications/24112
Official URL:https://doi.org/10.1016/0022-3093(95)00208-1
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