Predicting solidification properties of magnesium by molecular dynamics simulations
Abstract
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/Å3 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/m2 was predicted.
Publication Title
Magnesium Technology
Recommended Citation
Asadi, E., & Zaeem, M. (2016). Predicting solidification properties of magnesium by molecular dynamics simulations. Magnesium Technology, 2016-January, 53-56. https://doi.org/10.1002/9781119274803.ch12
