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The interface stresses at of the solid-melt interface are, in general,anisotropic. The anisotropy in the interfacial stress can be evaluated usingmolecular dynamics (MD) and phase field crystal (PFC) models. In this paper, wereport our results on the evaluation of the anisotropy in interface stress in aBCC solid with its melt. Specifically, we study Fe using both MD and PFCmodels. We show that while both MD and PFC can be used for the evaluation, andthe PFC and the amplitude equations based on PFC give quantitatively consistentresults, the MD and PFC results are qualitatively the same but do not matchquantitatively. We also find that even though the interfacial free energy isonly weakly anisotropic in BCC interfacial stress anisotropy is strong. Thisstrong anisotropy has implications for the equilibrium shapes, growthmorphologies and other properties at nano-scale in these materials.

Anisotropy in interface stress at the BCC-iron solid-melt interface: molecular dynamics and phase field crystal modelling