The temperature dependence of the solid-liquid interfacial free energy, , is investigated for Al and Ni at the undercooled temperature regime based on a recently developed persistent-embryo method. The atomistic description of the nucleus shape is obtained from molecular dynamics simulations. The computed shows a linear dependence on the temperature. The values of extrapolated to the melting temperature agree well with previous data obtained by the capillary fluctuation method. Using the temperature dependence of , we estimate the nucleation free energy barrier in a wide temperature range from the classical nucleation theory. The obtained data agree very well with the results from the brute-force molecular dynamics simulations.

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http://dx.doi.org/10.1063/1.5048781DOI Listing

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