lmhale99 / atomman

Atomistic Manipulation Toolkit
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Feature add surface energy formula #35

Closed alcoae closed 3 months ago

alcoae commented 3 months ago

Calculates the surface energy of any miller index (hkl) for any FCC or BCC structure after using the model provided in Seoane, A., & Bai, X. M. A New Analytical Surface Energy Model for Arbitrary (hkl) Planes in BCC and FCC Metals. Surfaces and Interfaces, 103841 (2024). The model uses the three basic surface energies of the 100, 110 and 111 planes as input.