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Volume expansion of BMG from the as-cast to the supercooled liquid and the melt evaluated by using the first maximum shift in I(q). DSC trace shows the temperature change. Inset gives the first maximum shift in I(q) upon temperature rising.
Comparison in (a) S(q) and (b) g(r) of experimental data (solid line) with RMC simulated data (open circle) for BMG at 298 and 723 K, respectively. Inset of (a) is a cubic box containing 20 000 atoms of Mg, Cu, and Gd atoms obtained after simulation convergence. Inset of (b) shows the changes in partial g(r) of different atomic pairs at 298 and 723 K.
(a) Total fraction changes of major polyhedra and (b) fraction changes for those centered by Mg, Cu, and Gd atoms, in BMG at 298 and 723 K.
(a) Comparison in XAFS spectra of experimental data (solid line) with RMC simulated ones and (b) polyhedra centered by Mg, Cu, and Gd atoms, showing high probability of half-octahedral and tetrahedral existence.
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