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Knowledge on the mechanical and thermophysical properties of ZnO·nAl2O3 is essential for practical applications. Based on the first‐principles calculations and the bond valence method, the disordered spinel‐type structure of ZnO·nAl2O3 (n = 1–4) was constructed to investigate the composition‐dependent mechanical and thermophysical properties. The effects of cation substitution on the hardness, elastic...
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