Molecular dynamics study of the thermodynamic and kinetic properties of the solid-liquid interface in FeMn

The solid-liquid phase equilibria as a function of temperature and composition has been computed for the Fe-Mn system using a semi-grand canonical Monte Carlo technique. Interaction between atoms were modeled using a second nearest neighbor modified embedded atom method potential. In addition, the excess solid-liquid interfacial free energy ( γ ) and its anisotropy has been computed from the capillary fluctuation method. The results indicate …