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.
Representative X-ray diffraction patterns of Mo collected at 1673 K and different pressures. Unidentified peaks are marked by x.
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.
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 .
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).
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.
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.
Thermoelastic parameters for Mo obtained using HTBM EOS.
Thermoelastic parameters for Mo obtained using MGD EOS.
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 ).
Calculated thermodynamic parameters for Mo at different pressures and temperatures using KE EOS (Mo-1 model in Table IV ).
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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