Solid-liquid interfacial free energies and associated crystalline anisotropies are calculated for a model Ni-Cu alloy system based upon the analysis of equilibrium capillary fluctuations in molecular-dynamics simulations. Alloying of Ni by Cu leads to a reduction in the magnitude of the calculated interfacial free energy, while having only a minor effect on computed anisotropies. The present study demonstrates the viability of applying the fluctuation method to simulation-based calculations of solid-liquid interfacial free energies in alloys.

• Received 28 May 2002

DOI:https://doi.org/10.1103/PhysRevB.66.100101