Theoretical prediction of Grüneisen parameter for bulk metallic glasses

Pandey, Anjani K.; Pandey, Brijesh; Rahul, *

doi:10.1016/j.jallcom.2010.11.120

Cited by 11 publications

(7 citation statements)

References 25 publications

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“…A correlation is found between the BMG curves and their metallic components, which indicate a different average result for each element. Shankar EOS and high order Shankar EOS, derived from the atomic potential approach, are more reliable and closer to the results of experiments [16,17,23] shown in Tables 2 and 3.…”

Section: Variation Of Compressibility Under High Pressuressupporting

confidence: 77%

“…Values of K0 and ′ 0 K used in the present calculations are shown in Table 1, which have been reported by A. K. Pandey et al [16]. The results for the value of P as a function of V/V0 down to 0.40 are given in Tables EQUATION OF STATE AND THERMAL PROPERTIES OF BULK METALLIC GLASS 1155 2, 3.…”

Section: Resultssupporting

confidence: 58%

“…The results for the value of P as a function of V/V0 down to 0.40 are given in Tables EQUATION OF STATE AND THERMAL PROPERTIES OF BULK METALLIC GLASS 1155 2, 3. It has been claimed by experimental results [16,17].…”

Section: Resultsmentioning

confidence: 78%

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Equation of State and Thermal Properties of Bulk Metallic Glass under High Compressions

Gaurav,

Shankar,

Mishra

et al. 2024

Metallofiz. Noveishie Tekhnol.

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Studies on the equation of state (EOS) for solids are highly valuable in the field of condensed matter physics and geophysics. The analyses of the equation of state under high compressions for solids are already performed. In the proposed study, we have considered the four different approaches (finite strain and interionic potential) to study P-V-T relationship for amorphous glasses. The theoretically obtained results are compared with available experimental data to compare and verify the best suitable equation of state for amorphous solids like glass, which can be used in the future to find the thermodynamic parameters of bulk metallic glass, which is also an amorphous solid in total. The results obtained from Shanker EOS and higher-order Shanker EOS are found to be more consistent with the experimental results. We calculate the Grüneisen parameter and thermal conductivity for the bulk metallic glasses (window and water white glasses) under high compressions.

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Section: Variation Of Compressibility Under High Pressuressupporting

confidence: 77%

Section: Resultssupporting

confidence: 58%

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Equation of State and Thermal Properties of Bulk Metallic Glass under High Compressions

Gaurav,

Shankar,

Mishra

et al. 2024

Metallofiz. Noveishie Tekhnol.

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“…The Grüneisen parameter γ is of considerable importance to Earth scientists because it sets limitations on the thermoelastic properties of the lower mantle and core. There are several formulations of the Grüneisen parameter in wide use that not only give different values for γ at ambient pressure but also predict a varying dependence of γ as a function of compression [23]. In figure 5, the variation of the Grüneisen parameter γ with temperature at different pressures for MgF 2 with a fluorite structure is displayed, from which it can be seen that the Grüneisen parameter γ decreases as the pressure increases.…”

Section: Resultsmentioning

confidence: 99%

The thermodynamic properties of cubic fluorite-type MgF₂: first-principles prediction

et al. 2012

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The thermodynamic properties of MgF2 with a fluorite structure under high pressures and temperatures have been investigated in this work using the Debye model. This model combines with first-principles calculations within local density approximation (LDA) using pseudo-potentials and a plane-wave basis in the framework of density functional theory, and takes into account the phononic effects within the quasi-harmonic approximation. The effects of the temperatures and pressures on the thermodynamic properties such as the Debye temperature Θ, the heat capacity CV, the entropy S and the Grüneisen parameter γ are all investigated at extended pressure and temperature ranges for the first time. On the basis of the first-principles study and the Debye model, all the thermodynamic properties of MgF2 with a fluorite structure have been predicted in the entire pressure range from 0 to 135 GPa and temperatures up to the melting temperature 1500 K.

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“…Ultrasonic non-destructive testing (NDT) is a useful technique that can be applied to a range of materials for the characterization of their microstructures, the appraisal of defects and the determination of physical properties such as density, thermal conductivity and electrical resistivity. The Grüneisen parameter is of considerable importance to Earth's scientists, because it sets limitations on the thermoelastic properties of lower mantle [1]. The study of Grüneisen parameters for a solid enables us to describe and discuss the various physical properties of a system, such as high temperature specific heats of lattice, thermal expansion, thermal conductivity and temperature variation of the elastic constants.…”

Section: Introductionmentioning

confidence: 99%

Ultrasonic Wave Propagation in Californium Monopnictides

Kumar¹,

Singh²,

Mishra³

2011

OJAppS

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In this paper, theoretical computations have been made for the investigations of temperature dependence of the ultrasonic parameters like ultrasonic velocities and Grüneisen parameters in californium monopnictides CfY (Y: N, As and Sb) for longitudinal and shear waves along <100>, <110> and <111> crystallographic directions in the temperature range 100-500K. For the same evaluation the second-and third-order elastic constants have also been computed for these monopnictides using Coulomb and Born-Mayer potential upto second nearest neighborhood. The mechanical properties and stability of CfN is best, because of its high valued elastic constants. Ultrasonic velocity is found to be highest for CfAs along all chosen directions, so CfAs will be most suitable compound for wave propagation. The obtained results of present investigation are discussed in along with identified thermophysical properties.

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Theoretical prediction of Grüneisen parameter for bulk metallic glasses

Cited by 11 publications

References 25 publications

Equation of State and Thermal Properties of Bulk Metallic Glass under High Compressions

Equation of State and Thermal Properties of Bulk Metallic Glass under High Compressions

The thermodynamic properties of cubic fluorite-type MgF₂: first-principles prediction

Ultrasonic Wave Propagation in Californium Monopnictides

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Theoretical prediction of Grüneisen parameter for bulk metallic glasses

Cited by 11 publications

References 25 publications

Equation of State and Thermal Properties of Bulk Metallic Glass under High Compressions

Equation of State and Thermal Properties of Bulk Metallic Glass under High Compressions

The thermodynamic properties of cubic fluorite-type MgF2: first-principles prediction

Ultrasonic Wave Propagation in Californium Monopnictides

Contact Info

Product

Resources

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The thermodynamic properties of cubic fluorite-type MgF₂: first-principles prediction