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Abstract:
Aluminum oxide (Al2O3) is a widely used ceramic material known for its high-temperature stability, which makes it valuable in a variety of industrial applications. The conversion from bulk to surface modification may lead to substantial changes in their thermodynamic properties. Consequently, this study endeavors to resolve the primary thermodynamic properties of Al(2)O(3 )by employing DFT calculation. The FP-LAPW+lo method is first used in the WIEN2K software to determine the surface of bulk Al(2)O(3 )with varying thicknesses. The thermodynamic parameters of Al(2)O(3 )at high pressure and elevated temperature, such as bulk modulus, thermal expansion coefficient, heat capacity, entropy, enthalpy and Debye temperature are investigated with the help of the quasi-harmonic Debye model in the Gibbs2 package. The calculated thermodynamic parameters of the Al(2)O(3 )agree with earlier findings. The results reveal that with increasing thickness, the thermal expansion coefficient and entropy decrease while the enthalpy increases, indicating that Al2O3 can be a suitable candidate for various energy and electronic industrial applications.
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INTERNATIONAL JOURNAL OF MODERN PHYSICS C
ISSN: 0129-1831
Year: 2025
1 . 9 0 0
JCR@2022
Cited Count:
WoS CC Cited Count: 1
SCOPUS Cited Count: 2
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 5
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