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Thermal equation of state and thermodynamic properties of molybdenum at high pressures
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10.1063/1.4794127
/content/aip/journal/jap/113/9/10.1063/1.4794127
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/9/10.1063/1.4794127

Figures

Image of FIG. 1.
FIG. 1.

Pressure-temperature paths of in situ X-ray diffraction experiments. The pressures were calculated using MgO EOS. 1 bar shows results of experiment at the ambient conditions.

Image of FIG. 2.
FIG. 2.

Representative X-ray diffraction patterns of Mo collected at 1673 K and different pressures. Unidentified peaks are marked by x.

Image of FIG. 3.
FIG. 3.

KE EOS fit to P-V-T data for Mo. Solid lines are isothermal compression curves at 300, 473, 673, 873, 973, 1073, 1273, 1473, and 1673 K. Insert shows compressibility curves at room temperature fitted by BM EOS. The data points and fitted curves are indistinguishable from reference data 2,3 in the studied pressure range.

Image of FIG. 4.
FIG. 4.

Comparison of different EOS in this work using parameters listed in Tables II IV with theoretical EOS. 31 The calculated volumes along 300 and 3000 K isotherms are related to model Mo-1.

Image of FIG. 5.
FIG. 5.

Differences between pressures calculated using EOS of pressure standards used in previous works 2,3,36 and pressures calculated using KE EOS of Mo (model Mo-1). (a) Moderate pressures, (b) high pressures. The dotted lines show 3% deviation from the zero value. The data from Dewaele et al. 3 are recalculated by Ruby scale 35,65 and those from Dorfman et al. 2 are recalculated using MgO scale from Table IV .

Image of FIG. 6.
FIG. 6.

Calculated thermal expansion coefficient of Mo in comparison in with reference data. 64,66,67 Black lines—values calculated using Mo-1 model, blue lines—calculated using Mo-2 model. Red circles represent fit of diffraction data at ambient conditions (this work).

Image of FIG. 7.
FIG. 7.

Comparison of calculated heat capacities of Mo with reference data for CP . 63,64,68 Black lines—values calculated using Mo-1 model, blue lines—calculated using Mo-2 model.

Image of FIG. 8.
FIG. 8.

Calculated bulk moduli of Mo in comparison with reference data for KS . 22,27 The data for KS obtained by Choudhury and Brooks 64 coincide with those by Miller et al. 13 Black lines—values calculated using Mo-1 model, blue lines—calculated using Mo-2 model.

Image of FIG. 9.
FIG. 9.

Variations of Grüneisen parameter with P at different T. Data from shock compression experiments 18 and theoretical curve 31 are shown.

Tables

Generic image for table
Table I.

Experimental conditions and unit cell volumes of Molybdenum obtained by in situ X-ray diffraction. The 1 bar parameters were calculated from measurements by conventional X-ray diffraction. Volumes are in Å3, pressures are in GPa.

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Table II.

Thermoelastic parameters for Mo obtained using HTBM EOS.

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Table III.

Thermoelastic parameters for Mo obtained using MGD EOS.

Generic image for table
Table IV.

Parameters of Mo obtained using KE EOS. Mo-1: based on present P-V-T data, static compression, and thermochemical data; Au, MgO and Mo-2: based on thermodynamic analysis including shock compression data (modified to present formalism from Refs. 35 and 65 ).

Generic image for table
Table V.

Calculated thermodynamic parameters for Mo at different pressures and temperatures using KE EOS (Mo-1 model in Table IV ).

Generic image for table
Table VI.

Relative volumes (V/V 0) of bcc-Mo as a function of pressure and temperature using KE EOS (Mo-1 model in Table IV ). V 0 = 31.14 Å3.

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/content/aip/journal/jap/113/9/10.1063/1.4794127
2013-03-05
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Thermal equation of state and thermodynamic properties of molybdenum at high pressures
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/9/10.1063/1.4794127
10.1063/1.4794127
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