Phase Field Modeling of the Zn1-xCdxO Solid Solutions

I. Shtepliuka,b, N. Podolskaiac,d,e and G. Lashkareva aFrantsevich Institute for Problems of Materials Science, NASU, 03680, Kiev, Ukraine bDepartment of Physics, Chemistry and Biology, Linköping University, SE-58183 Linkoping, Sweden cIoffe Physico-Technical Institute, RAS, Saint-Petersburg, Russia dSaint-Petersburg Branch of Joint Supercomputer Center, RAS, Saint-Petersburg, Russia eSt. Petersburg Academic University, Khlopina 8/3, 194021 St. Petersburg, Russia

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The analysis of spinodal decomposition in the Zn1-xCdxO ternary alloy was carried out by means of the nonlinear Cahn-Hilliard equation. Interaction parameter as a function of composition x was provided by valence force field simulations and was used in this analysis. The morphological patterns for the ternary alloys with different Cd content (x=5, 10, 50%) were experimentally obtained using the semi-implicit Fourier-spectral method. The simulated microstructure evolution Zn0.95Cd0.05O demonstrates that the microstructure having a form: of bicontinuous worm-like network is evolved with the progress of aging. An effect of the phase-field mobility and the gradient energy on the microstructure evolution of the Zn1-xCdxO alloys is discussed. It was found that the higher driving force for the decomposition in the higher Cd content film results in a higher decomposition rate revealed by the simulations. The temporal evolution of the simulated Zn0.95Cd0.05O microstructure is in good agreement with experimental results, which have been obtained for this solid solution.

DOI: 10.12693/APhysPolA.126.1079 PACS numbers: 64.60.My, 05.70.Ln, 61.72.Bb, 61.72.Mm