Phase-field-crystal calculation of crystal-melt surface tension in binary alloys

Tutkimustuotos: Lehtiartikkelivertaisarvioitu

Tutkijat

  • Nikolas Provatas
  • Sami Majaniemi

Organisaatiot

  • McMaster University
  • Aalto University

Kuvaus

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.

Yksityiskohdat

AlkuperäiskieliEnglanti
Artikkeli041601
JulkaisuPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Vuosikerta82
Numero4
TilaJulkaistu - 18 lokakuuta 2010
OKM-julkaisutyyppiA1 Julkaistu artikkeli, soviteltu

ID: 26802336