Abstract
Thermodynamic and kinetic properties of crystal-melt (c-m) interface were computed for both BCC and FCC phases of Fe by molecular-dynamics simulation. Two Sutton-Chen potentials were adopted to describe the two solid phases of Fe. Firstly discussed is the anisotropy of melting point in different interfacial orientation which is calculated by two different methods (the coexisting phase method(CPM) and the interfacial velocity methods(IVM)). Free solidification simulations were used to determine the kinetic coefficient μ of the c-m interface. The anisotropy of of μ with respect to growth direction is μ 100 > μ110, μ100 > μ111 for the BCC phase and μ100 > μ110 ~ μ111 for the FCC phase, and the kinetic coefficients of BCC are larger than the counterparts for he FCC. Through the interfacial roughness of BCC-Fe under supercooling/superheating, the slight asymmetry between melting and solidifying can be observed too.
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Lv, L., Jiang, Y., Wu, Y., Xiao, J. (2016). Anisotropy of Crystal-Melt Interface of BCC-Fe and FCC-Fe from Molecular Dynamics Simulation. In: TMS 2016 145th Annual Meeting & Exhibition. Springer, Cham. https://doi.org/10.1007/978-3-319-48254-5_39
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DOI: https://doi.org/10.1007/978-3-319-48254-5_39
Publisher Name: Springer, Cham
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