| Abstract: |
| A novel version of phase field method is introduced for calculation of interfacial free energy (IFE) of the solid-gas interfaces of liquid-melt interface taking into account the discrete lattice structure. As an example, Lennard-Jones (LJ) systems on actual fcc lattice is considered. The approach provides an easy way to understand the process of transfer of microscopic anisotropy to the macroscopic scale. As an example, IFE for LJ systems is calculated at the triple point for different orientations. It is found that on an fcc lattice IFE is larger in the [100] direction than [110] direction. |
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