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Author:

Ali, Shabir (Ali, Shabir.) | Wang, Xinhua (Wang, Xinhua.) | Rasool, Ghulam (Rasool, Ghulam.) | Ali, Amjad (Ali, Amjad.) | Ali, Rawaid (Ali, Rawaid.) | Alibrahim, Khuloud A. (Alibrahim, Khuloud A..) | Alodhayb, Abdullah N. (Alodhayb, Abdullah N..) | Rauf, Sajid (Rauf, Sajid.)

Indexed by:

Scopus SCIE

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.

Keyword:

Al2O3 surface conversion DFT calculation thermodynamics properties thickness

Author Community:

  • [ 1 ] [Ali, Shabir]Beijing Univ Technol, Coll Mech & Energy Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Wang, Xinhua]Beijing Univ Technol, Coll Mech & Energy Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Rasool, Ghulam]Beijing Univ Technol, Coll Mech & Energy Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Ali, Amjad]Beijing Univ Technol, Coll Mech & Energy Engn, Beijing 100124, Peoples R China
  • [ 5 ] [Rauf, Sajid]Shenzhen Univ, Coll Mechatron & Control Engn, Shenzhen 518000, Peoples R China
  • [ 6 ] [Ali, Rawaid]Yunnan Normal Univ, Coll Phys & Elect Informat, Kunming 650500, Yunnan, Peoples R China
  • [ 7 ] [Alibrahim, Khuloud A.]Princess Nourah Bint Abdulrahman Univ, Coll Sci, Dept Chem, Riyadh 11671, Saudi Arabia
  • [ 8 ] [Alodhayb, Abdullah N.]King Saud Univ, Coll Sci, Res Chair Tribol Surface & Interface Sci, Dept Phys & Astron, Riyadh 11451, Saudi Arabia

Reprint Author's Address:

  • [Wang, Xinhua]Beijing Univ Technol, Coll Mech & Energy Engn, Beijing 100124, Peoples R China;;[Rauf, Sajid]Shenzhen Univ, Coll Mechatron & Control Engn, Shenzhen 518000, Peoples R China

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Source :

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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