PREDICTING SOLIDIFICATION PROPERTIES OF MAGNESIUM BY MOLECULAR DYNAMICS SIMULATIONS

E Asadi and MA Zaeem, MAGNESIUM TECHNOLOGY 2016, 53-56 (2016).

In this work, we studied the solid-liquid coexistence properties in Mg by using the modified-embedded atom method (MEAM) in molecular dynamics (MD) simulations. The solid-liquid coexisting approach was used, and the melting point of 937.9 K. latent heat of 10.2 kJ/mol, and liquid density of 0.037 atom/angstrom(3) were predicted, which are in good agreement with the experimental data. The capillary fluctuation method (CFM) was used to determine the solid-liquid interface free energy and anisotropy parameters. Eight slip and twinning planes (basal, two prismatic, two pyramidal, and three twinning planes) were used as the solid-liquid interface planes. The average solid-liquid interface free energy of 122.2 mJ/m(2) was predicted.

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