Figure 2: Comparison of the structural data for oxide liquids.
From: Atomic and electronic structures of an extremely fragile liquid
(a) The Bhatia–Thornton number–number partial structure factor, SNN(Q), for l-ZrO2 at 2,800 °C derived from the DF–MD simulation (black curve) in comparison with those of l-Al2O3 at 2,127 °C (red curve)9 and l-SiO2 at 2,100 °C (blue curve)22. The momentum transfer Q was scaled by rAX, where rAX is the first coordination distance between A and X in the real-space function. The Bhatia–Thornton concentration–concentration partial structure factor, SCC(Q), and number–concentration partial structure factor, SNC(Q), are shown in Supplementary Fig. 2 together with the detailed note (Supplementary Note 1). (b) The coordination number distribution of oxygen around the cations in l-ZrO2 at 2,800 °C, l-Al2O3 at 2,127 °C9 and l-SiO2 at 2,100 °C22. (c) The polyhedral connections in l-ZrO2 at 2,800 °C, l-Al2O3 at 2,127 °C9 and l-SiO2 at 2,100 °C22. CS, corner sharing of oxygen; ES, edge sharing of oxygen; FS, face sharing of oxygen.
