Estimation of Solid-liquid Interfacial Energy from Gibbs-Thomson Effect: A Molecular Dynamics Study

摘要

Solid-liquid interfacial energies of chromium and nickel are estimated from a Gibbs-Thomson relation. Molecular dynamics simulation shows that there is a critical temperature dividing shrinking or growing of a freestanding spherical crystal in the undercooled melt and the critical temperature is negatively correlated with inverse of crystal radius, which is regarded as the Gibbs-Thomson effect. The solid-liquid interfacial energies are then estimated from the proportional coefficient, to be 0.304 Jrrf2 for chromium and 0.256 Jm~(-2) for nickel, respectively.