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 language | English |
|---|---|
| Article number | 041601 |
| Journal | Physical Review E - Statistical, Nonlinear, and Soft Matter Physics |
| Volume | 82 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 18 Oct 2010 |
| MoE publication type | A1 Journal article-refereed |
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Provatas, N., & Majaniemi, S. (2010). Phase-field-crystal calculation of crystal-melt surface tension in binary alloys. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 82(4), [041601]. https://doi.org/10.1103/PhysRevE.82.041601