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In this paper, the Wulff cluster model combined phonon calculation is used toinvestigate the relationship between the structure of metallic melts (Pb/Al)and the abnormal viscosity change. Although absolute value of the surfaceenergy does not change significantly with temperature, the Wulff shape changedevidently. When temperature raise to 975K, Pb(321) surface that has the highestinteraction strength completely disappears, while the abnormal viscosity drophappens at the same temperature range. Oppositely, Al(100) surface that has thelowest interaction strength disappears when temperature is higher than 1075K,and at the same temperature range, the abnormal viscosity rise has beenobserved. The abnormal viscosity drop corresponds to the disappearance ofsurface with the highest interaction strength (Pb(321) surface), while the riseone corresponds to the disappearance of surface with the lowest adsorptionenergy (Al(100) surface). All evidence indicates that the uniformity betweenabnormal viscosity change and the change of Wulff shape is not a coincidence. Apossible mechanism of the abnormal viscosity change is that it caused by thesignificant structure change of cluster (short range ordering) in the metallicmelts.

First principles study on the mechanism of abnormal viscosity change of pure Al & Pb melts based on Wulff cluster model