Molecular dynamics calculations of the crystal-melt interfacial mobility for hexagonal close-packed Mg

The kinetics of crystallization from the melt is investigated for hcp Mg employing molecular dynamics simulations based on a recently developed embedded-atom-method interatomic potential. The interface mobility (μ), defined as the constant of proportionality between interface velocity and undercooling, is calculated for the three high-symmetry orientations (0001), (101̄0), and (112̄0). The magnitudes of the interface mobilities are found to lie in the range of 40--800.3em0excm∕s∕K. The mobilities μ101̄0 and μ112̄0 are found to be of comparable magnitude and approximately 1.7 times larger than μ₀₀₀₁. The calculated dependence of μ on interface normal is discussed within the framework of the kinetic density-functional theory (DFT) formulation of Mikheev and Chernov.