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Refractory oxide melts of the binary system MgO-Al 2 O 3  have been studied by molecular dynamics simulation using an advanced ionic interaction model derived from first-principles. The simulations reproduce well experimental densities, structure factors, and transport properties. Anomalous behavior of the latter was observed as a function of melt composition. The minimum in the Al self-diffusion and the respective maximum in the shear viscosity around MgAl 4 O 7  composition are explained by structural changes in the melt.

american mineralogist

Amorphous materials: Properties, structure, and durability: Atomic structure and transport properties of MgO-Al 2 O 3  melts: A molecular dynamics simulation study