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DFT Validation of Thermodynamic Modeling and Phase Relations of Equilibrium Experimentation on the Pseudo-Ternary System Al2O3–CaO–Cr2Ox

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY(2024)

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Key words
DFT,Thermodynamic modeling,Pseudo-ternary system Al 2 O 3-CaO-Cr 2 O x,CaAl 2 Cr 2 O 7 (wuboraite),Cr6+
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