Atomistic computation of liquid diffusivity, solid-liquid interfacial free energy, and kinetic coefficient in Au and Ag

Molecular-dynamics simulations using interatomic potentials of the embedded atom method have been performed on pure Ag and Au to compute materials parameters which are necessary for continuum modeling of dendritic solidification. The liquid state diffusion coefficient has been determined for temperatures in the vicinity of the melting points and good agreement with experimental data available for Ag is found. The kinetic coefficients for Au and …