Nucleation and solid-liquid interfacial energy of Li nanoparticles: A molecular dynamics study

摘要

The nucleation and growth processes of lithium nanoparticles are simulated by molecular dynamics and embedded atom method. A critical temperature dividing, shrinking, or growing of lithium nanoparticles is determined. The linear relationship between the depression of the melting point of the lithium nanoparticle and the reciprocal of the critical nuclei is determined when the critical nuclei are between 1.0 and 2.0nm. Solid-liquid interfacial energies of lithium nanoparticles are estimated from the Gibbs-Thomson effect. These results are consistent with the experimental values of other metals. (C) 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim