期刊
PHYSICAL REVIEW B
卷 66, 期 10, 页码 -出版社
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevB.66.100101
关键词
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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.
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