Investigation of thermodynamic properties of cerium dioxide by statistical moment method

Vu Van Hung; Jaichan Lee; K. Masuda-Jindo

doi:10.1016/j.jpcs.2005.09.100

Investigation of thermodynamic properties of cerium dioxide by statistical moment method

Vu Van Hung
, Jaichan Lee
, K. Masuda-Jindo

Department of Advanced Materials Science and Engineering

Sungkyunkwan University
Institute of Science Tokyo
Hanoi National Petagogic University

Research output: Contribution to journal › Article › peer-review

34 Scopus citations

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, C_V and C_P, 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.

Original language	English
Pages (from-to)	682-689
Number of pages	8
Journal	Journal of Physics and Chemistry of Solids
Volume	67
Issue number	4
DOIs	https://doi.org/10.1016/j.jpcs.2005.09.100
State	Published - Apr 2006

Keywords

A. Inorganic compounds
D. Anharmonicity
D. Thermodynamic properties

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10.1016/j.jpcs.2005.09.100

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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.",

keywords = "A. Inorganic compounds, D. Anharmonicity, D. Thermodynamic properties",

author = "\{Van Hung\}, Vu and Jaichan Lee and K. Masuda-Jindo",

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T1 - Investigation of thermodynamic properties of cerium dioxide by statistical moment method

AU - Van Hung, Vu

AU - Lee, Jaichan

AU - Masuda-Jindo, K.

PY - 2006/4

Y1 - 2006/4

N2 - 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.

AB - 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.

KW - A. Inorganic compounds

KW - D. Anharmonicity

KW - D. Thermodynamic properties

UR - https://www.scopus.com/pages/publications/33645081514

U2 - 10.1016/j.jpcs.2005.09.100

DO - 10.1016/j.jpcs.2005.09.100

M3 - Article

AN - SCOPUS:33645081514

SN - 0022-3697

VL - 67

SP - 682

EP - 689

JO - Journal of Physics and Chemistry of Solids

JF - Journal of Physics and Chemistry of Solids

IS - 4

ER -

Investigation of thermodynamic properties of cerium dioxide by statistical moment method

Abstract

Keywords

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