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

Nikolas Provatas*, Sami Majaniemi

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

14 Citations (Scopus)

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.

Original languageEnglish
Article number041601
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume82
Issue number4
DOIs
Publication statusPublished - 18 Oct 2010
MoE publication typeA1 Journal article-refereed

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