Investigation of thermodynamic properties of cerium dioxide by statistical moment method |
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| Authors: | Vu Van Hung K Masuda-Jindo |
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| Institution: | a Department of Materials Science and Engineering, Center for Advanced Plasma Surface Technology, Sungkyunkwan University, 300 Chunchun-dong, Jangan-gu, Suwon, 440-746, South Korea
b Department of Materials Science and Engineering, Tokyo Institute of Technology, Nagatsuta, Midori-ku, Yokohama 226-8503, Japan |
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| Abstract: | The thermodynamic properties of the cerium dioxide (CeO2) are studied using the statistical moment method, including the anharmonicity effects of thermal lattice vibrations. The free energy, linear thermal expansion coefficient, bulk modulus, specific heats at the constant volume and those at the constant pressure, CV and CP, are derived in closed analytic forms in terms of the power moments of the atomic displacements. The temperature dependence of the thermodynamic quantities of cerium dioxide is calculated using three different interatomic potentials. The influence of dipole polarization effects on the thermodynamic properties and thermodynamic stability of cerium dioxide have been studied in detail. |
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| Keywords: | A Inorganic compounds D Anharmonicity D Thermodynamic properties |
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