We present an atomistically informed parametrization of a phase-field model for describing the anisotropic mobility of liquid–solid interfaces in silicon. The model is derived from a consistent set of atomistic data and thus allows to directly link molecular dynamics and phase field simulations. Expressions for the free energy density, the interfacial energy and the temperature and orientation dependent interface mobility are systematically fitted to data from molecular dynamics simulations based on the Stillinger–Weber interatomic potential. The temperature-dependent interface velocity follows a Vogel–Fulcher type behavior and allows to properly account for the dynamics in the undercooled melt.
Electrodes with different microstructures made of platinum and yttria stabilized zirconia (YSZ) were investigated. They were characterized by means of impedance measurements and electrode charging experiments in the temperature range of 450 ℃ to 800 ℃ and in oxygen partial pressures of 0.2 bar down to 10
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