Phase field crystal modeling of ternary solidification microstructures

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Abstract

In the present work, we present a free energy derivation of the multi-component phase-field crystal model [1] and illustrate the capability to simulate dendritic and eutectic solidification in ternary alloys. Fast free energy minimization by a simulated annealing algorithm of an approximated crystal is compared with the free energy of a fully simulated phase field crystal structure. The calculation of ternary phase diagrams from these free energies is described. Based on the free energies related to the ternary Al-Cu-Mg system, we show phase field crystal simulations of both, ternary dendritic growth as well as lamellar eutectic growth of three distinct solid phases.

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Berghoff, M., & Nestler, B. (2015). Phase field crystal modeling of ternary solidification microstructures. Computational Condensed Matter, 4, 46–58. https://doi.org/10.1016/j.cocom.2015.08.002

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