Deriving surface-energy anisotropy for phenomenological phase-field models of solidification

Sami Majaniemi, Nikolas Provatas

    Research output: Contribution to journalArticleScientificpeer-review

    34 Citations (Scopus)

    Abstract

    The free energy of classical density functional theory of an inhomogeneous fluid at coexistence with its solid is used to describe solidification in two-dimensional hexagonal crystals. A coarse-graining formalism from the microscopic density functional level to the macroscopic single order parameter level is provided. An analytic expression for the surface energy and the angular dependence of its anisotropy is derived and its coefficients related to the two-point direct correlation function of the liquid phase at coexistence.
    Original languageEnglish
    Article number011607
    Number of pages12
    JournalPhysical review E
    Volume79
    Issue number1
    DOIs
    Publication statusPublished - 2009
    MoE publication typeA1 Journal article-refereed

    Keywords

    • density functional theory
    • free energy
    • liquid theory
    • solidification
    • surface energy

    Fingerprint Dive into the research topics of 'Deriving surface-energy anisotropy for phenomenological phase-field models of solidification'. Together they form a unique fingerprint.

    Cite this