Five-parameter equation of state for solids correctly incorporating cohesive energy data

Ronggang, Tian; Sun, Jie

doi:10.1088/1674-1056/20/8/080508

Cited by 4 publications

(3 citation statements)

References 20 publications

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“…Furthermore, the results in table 4 also show that the optimized values of Q 3 in the GLIR EOS (3) and C 2 in the PM EOS (7) are negative for many studied solids. For these solids, the corresponding EOSs may exhibit a physically incorrect tendency as volume tends to infinity as pointed out in [40][41][42][43][44], as shown in figures 8 and 10. Because the coefficients Q 3 in EOS (3) and C 2 in EOS ( 7) should be positive for all solids to guarantee a physically correct tendency at high pressure, P → ∞ as V → 0.…”

Section: Application To Real Solidsmentioning

confidence: 92%

“…Since 1984 when Rose et al [30] proposed that there exists a universal EOS (UEOS) valid for all types of solids by analyzing the energy band data, several forms of UEOS have been proposed [31][32][33][34][35][36][37][38][39][40][41][42][43][44][45]. Among these EOSs, the Vinet [31] and Parsafar and Mason (PM) [32] equations are the most popular in applications.…”

Section: Introductionmentioning

confidence: 99%

“…The Baonza [35,36] EOS has also been applied to dense liquids at high pressure. And some other EOSs [35][36][37][38][39][40][41][42][43][44][45] have been proposed with various merits and precision.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Simple cubic equation of state applied to hard-sphere, Lennard-Jones fluids, simple fluids and solids

Sun¹,

Cai²,

Wu³

et al. 2013

Phys. Scr.

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Based on the expansion and extension of the virial equation of state (EOS) of hard-sphere fluids solved by the Percus–Yevick integration equation, a universal cubic (UC) EOS is developed. The UC EOS is applied to model hard-sphere and Lennard-Jones (LJ) fluids, simple Ar and N2 liquids at low temperatures, and supercritical Ar and N2 fluids at high temperatures, as well as ten solids, respectively. The three parameters are determined for the hard-sphere fluid by fitting molecular dynamics (MD) simulation data of the third to eighth virial coefficients in the literature; for other fluids by fitting isothermal compression data; and for solids by using the Einstein model. The results show that the UC EOS gives better results than the Carnahan–Starling EOS for compressibility of hard-sphere fluids. The Helmholtz free energy and internal energy for LJ fluids are predicted and compared with MD simulation data. The calculated pressures for simple Ar and N2 liquids are compared with experimental data. The agreement is fairly good. Eight three-parameter EOSs are applied to describe isothermals of ten typical solids. It is shown that the UC EOS gives the best precision with correct behavior at high-pressure limitation. The UC EOS considering thermal effects is used to analytically evaluate the isobaric thermal expansivity and isothermal compressibility coefficients. The results are in good agreement with experimental data.

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Section: Application To Real Solidsmentioning

confidence: 92%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Simple cubic equation of state applied to hard-sphere, Lennard-Jones fluids, simple fluids and solids

Sun¹,

Cai²,

Wu³

et al. 2013

Phys. Scr.

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Equation of state for solids considering cohesive energy and anharmonic effect and its application to MgO

Zhang¹,

Sun²

2012

Chinese Phys. B

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A simple equation of state (EOS) in wide ranges of pressure and temperature is constructed within the Mie—Grüneisen—Debye framework. Instead of the popular Birch—Murnaghan and Vinet EOS, we employ a five-parameter cold energy expression to represent the static EOS term, which can correctly produce cohesive energy without any spurious oscillations in the extreme compression and expansion regions. We developed a Padé approximation-based analytic Debye quasiharmonic model with high accuracy which improves the performance of EOS in the low temperature region. The anharmonic effect is taken into account by using a semi-empirical approach. Its reasonability is verified by the fact that the total thermal pressure tends to the lowest-order anharmonic expansion in the literature at low temperature, and tends to ideal-gas limitation at high temperature, which is physically correct. Besides, based on this approach, the anharmonic thermal pressure can be expressed in the Grüneisen form, which is convenient for applications. The proposed EOS is used to study the thermodynamic properties of MgO including static and shock compression conditions, and the results are very satisfactory as compared with the experimental data.

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A car-following model with considering control signals from front and rear

Ge¹,

Chen²,

Cheng³

2014

Acta Phys. Sin.

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A new control method to suppress traffic jams is proposed by considering headway of the front and rear. With the control signals or not the stability conditions are derived. It is shown that the vehicle speed fluctuation by the simulations disappears when the feedback control signals are introduced. Therefore, serious congestion will not occur in the system. Illustration shows that the feedback control signal can effectively suppress and alleviate the traffic congestion.

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Five-parameter equation of state for solids correctly incorporating cohesive energy data

Cited by 4 publications

References 20 publications

Simple cubic equation of state applied to hard-sphere, Lennard-Jones fluids, simple fluids and solids

Simple cubic equation of state applied to hard-sphere, Lennard-Jones fluids, simple fluids and solids

Equation of state for solids considering cohesive energy and anharmonic effect and its application to MgO

A car-following model with considering control signals from front and rear

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