title: Phase-field-crystal calculation of crystal-melt surface tension in binary alloys.
abstract: A phase field crystal (PFC) density functional for binary mixtures is coarse grained and a formalism for calculating the simultaneous concentration, temperature, and density dependence of the surface energy anisotropy of a solid-liquid interface is developed. The methodology systematically relates bulk free energy coefficients arising from coarse graining to thermodynamic data, while gradient energy coefficients are related to molecular properties. Our coarse-grained formalism is applied to the determination of surface energy anisotropy in two-dimensional Zn-Al films, a situation relevant for quantitative phase field simulations of dendritic solidification in zinc coatings.
authors.affiliation: Department of Materials Science and Engineering, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4L7. provata@mcmaster.ca
authors.forename: Nikolas
authors.initials: N
authors.lastname: Provatas
authors.forename: Sami
authors.initials: S
authors.lastname: Majaniemi