Thermodynamic properties of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>fullerite at high temperatures: Calculations taking into account the intramolecular degrees of freedom and strong anharmonicity of the lattice vibrations

Zubov, V. I.; Tretiakov, N.P.; Sanchez, J. F.; Caparica, A. A.

doi:10.1103/physrevb.53.12080

Cited by 54 publications

(45 citation statements)

References 39 publications

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“…Then it is convenient to develop the simple analytic equation of state through the AMFP, whereas the complete FVT fails. The AMFP has been applied to solid C 60 by using the Girifalco potential [23] by Sun et al [24], the numerical results are in good agreement with the molecular dynamics (MD) simu- lations [25,26] and superior to the CUST of Zubov et al [27,28]. This verifies the AMFP is a convenient approach to consider the anharmonic effects at high temperature.…”

Section: Introductionsupporting

confidence: 56%

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An analytic equation of state based on analytic mean-field potential approach and application to three phases of metallic Zirconium

et al. 2008

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Abstract:The analytic mean-field approach (AMFP) was applied to study the thermodynamic properties of Zirconium (Zr). The analytic expressions for the Helmholtz free energy, internal energy and equation of state have been derived. The formalism for the case of the Morse potential is used in this work. The four potential parameters are determined by fitting the molar volume of the three phases of Zr. The calculated molar volume of α, β and ω Zr are in fairly good agreement with the available experimental data. The results presented in this paper verify that the AMFP is a useful approach to study the thermodynamic properties of Zr. Furthermore, we predict the variation of the relationship of free energy and internal energy versus the molar volume at various temperatures and the dependence of the bulk modulus, the thermal expansion coefficient and the heat capacity on temperature at zero pressure of α, β and ω Zr.

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Section: Introductionsupporting

confidence: 56%

“…5 compares our predictions of the thermal expansion coefficient versus temperature with values calculated using Eq. (27). The agreement between our predictions and values calculated using Eq.…”

Section: Resultsmentioning

confidence: 78%

An analytic equation of state based on analytic mean-field potential approach and application to three phases of metallic Zirconium

et al. 2008

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“…Ref. [68] gives a complete set of the thermal and elastic properties in the fcc modification in particular for the high temperature phase.…”

Section: Solid State Structure Of Undoped Fullerenesmentioning

confidence: 99%

Solid State and Magnetic Properties of Pure, Intercalated and Superconducting Fullerenes

Buntar¹,

Sauerzopf²,

Weber³

1997

Aust. J. Phys.

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A review of some of the solid state and the magnetic properties of fullerenes is presented. We summarise and discuss experimental results on magnetism of pure C60, C70 and higher fullerenes. The main features of the structure and the magnetic properties of intercalated fullerenes, such as metallofullerenes, TDAE-C60 and polymeric A1C60, are presented. Attention is also paid to the mixed state properties of fullerene superconductors, especially to the evaluation of the critical fields and the characteristic lengths of these materials. Some new experimental results on this subject are also presented.

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“…However, the magnitudes of the longitudinal and transversal components of correlations for the second neighbors are smaller than those of the longitudinal components and larger than those of the transversal components of QCM in an hexagonal lattice. This behavior is so because QCM is dependent on the dimensionality of the lattice and the coordination number [45].…”

Section: Fig 11mentioning

confidence: 99%

An overview of the interatomic correlation moments and the mean square relative atomic displacements in anharmonic crystals

2006

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Thermodynamic properties of theC60fullerite at high temperatures: Calculations taking into account the intramolecular degrees of freedom and strong anharmonicity of the lattice vibrations

Cited by 54 publications

References 39 publications

An analytic equation of state based on analytic mean-field potential approach and application to three phases of metallic Zirconium

An analytic equation of state based on analytic mean-field potential approach and application to three phases of metallic Zirconium

Solid State and Magnetic Properties of Pure, Intercalated and Superconducting Fullerenes

An overview of the interatomic correlation moments and the mean square relative atomic displacements in anharmonic crystals

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