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- W2012193191 abstract "The thermodynamic properties of tetragonal-ZrO2 (t-ZrO2) were investigated at high pressures and temperatures using plane-wave pseudopotential method within generalized gradient approximation (GGA) and the quasi-harmonic Debye model. The variations of the volume, bulk modulus, the heat capacity, entropy, Debye temperature, the Grüneisen parameter and thermal expansion coefficient of t-ZrO2 with pressures and temperatures were obtained and compared with the available results. The thermodynamic properties of t-ZrO2 have been predicted using the quasi-harmonic Debye model for the first time and the obtained results are in agreement with the previous experimental and theoretical data." @default.
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- W2012193191 date "2012-12-01" @default.
- W2012193191 modified "2023-10-16" @default.
- W2012193191 title "Theoretical calculations of thermodynamic properties of tetragonal ZrO2" @default.
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- W2012193191 doi "https://doi.org/10.1016/j.commatsci.2012.07.008" @default.
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