Crystal–melt interface kinetic behaviors of iron

While the crystal–melt interface kinetic equation predicts various kinetic behaviors, the realization of these scenarios and the corresponding thermodynamic conditions remain unclear. In this work, six representative interface kinetic behaviors of Fe were modeled and examined by molecular dynamics simulations. For the flat interface, several models were designed to study the migration, fluctuation, and recovery of the interface. For the cylindrical or curved interface, different models were also designed to test the equilibrium, migration, and instability of the interface. By comparing the kinetic behaviors of the two types of interfaces, we can observe the effect of interface curvature. During the simulations, two crucial material-specific parameters, the crystal–melt interface free energy and kinetic coefficient, were determined and compared among different models.