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• W2073183724 abstract "The generalized free volume theory is applied to the soft-core multiple-Yukawa solid, and the hard-core multiple-Yukawa is included in as a special case. The expressions for equation of state and internal energy are derived. The formalism developed is applied to the ${mathrm{C}}_{60}$, ${mathrm{C}}_{76}$, and ${mathrm{C}}_{84}$ solids. The effective diameter of ${mathrm{C}}_{60}$ molecule is taken as the experimental value; the parameters of the double Yukawa (DY) potential for carbon-carbon atoms are determined through fitting the experimental data of cohesive energy, the lattice constant, and the compression curve of ${mathrm{C}}_{60}$ solid at ambient temperature. The effective diameter of ${mathrm{C}}_{76}$ and ${mathrm{C}}_{84}$ molecules are determined through fitting the experimental lattice constants at ambient temperature. The numerical results of ${mathrm{C}}_{60}$ solid from the soft-core DY potential are in good agreement with the experiments, including the lattice constant and compression curve. The lattice constant versus temperature relationship for ${mathrm{C}}_{76}$ and ${mathrm{C}}_{84}$ solids calculated from the DY potential is qualitatively in accordance with experimental data as same as the Girifalco potential. The compression curve of the ${mathrm{C}}_{84}$ solid calculated from the DY potential deviates from and is softer than the experimental data available. The reason for deviation is discussed, and it is concluded that the influence of compressibility of fullerene molecules to thermophysical quantities is important at high-pressure conditions." @default.
• W2073183724 created "2016-06-24" @default.
• W2073183724 creator A5069724616 @default.
• W2073183724 date "2007-01-24" @default.
• W2073183724 modified "2023-10-18" @default.
• W2073183724 title "Equation of state and thermodynamic functions for the fcc soft-core multiple-Yukawa solid and application to fullerenes with compressible molecular radius" @default.
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• W2073183724 doi "https://doi.org/10.1103/physrevb.75.035424" @default.
• W2073183724 hasPublicationYear "2007" @default.
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