EAM potential for Mg developed by Sun et al. (2006)

Mikhail I. Mendelev
Crystal-melt interfacial free energies (γ) are computed for hcp Mg by employing equilibrium molecular-dynamics (MD) simulations and the capillary-fluctuation method (CFM). This work makes use of a newly developed embedded-atom-method (EAM) interatomic potential for Mg fit to crystal, liquid, and melting properties. We describe how the CFM, which has previously been applied to cubic systems only, can be generalized for studies of hcp metals by employing a parametrization for the orientation dependence of γ in...
This data repository is not currently reporting usage information. For information on how your repository can submit usage information, please see our documentation.