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Ab initio study of acoustic velocities in molybdenum under high pressure and high temperature
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View: Figures


Image of FIG. 1.
FIG. 1.

(Color online). Hugoniot of bcc Mo (black solid line) and fcc Mo (magenta solid line). The dash-dotted line and dash-dot-dotted line are the calculated Hugoniot of bcc Mo from Cazorla et al. (Ref. 15) and Hixson and Fritz (Ref. 26), respectively. The open squares and solid circles are the calculated bcc-fcc boundaries from our previous calculations (Ref. 22) and Belonoshko et al. (Ref. 13); the dotted line is the calculated bcc-hcp boundary by Cazorla et al. (Ref. 14); the solid triangles with error bars are calculated SW data (Ref. 8); the solid diamonds with error bars are the data from Errandonea considering 30% superheating of the SW data (Ref. 2); the solid spheres with error bars are measured DAC melting data (Refs. 4 and 6); the dashed line is the theoretical melting curve by Belonoshko et al. (Ref. 13), and the grey dash-dotted line is the extrapolated bcc-fcc boundary.

Image of FIG. 2.
FIG. 2.

(Color online). Hugoniot elastic constant of bcc Mo (solid lines) and fcc Mo (dashed lines), compared with DAC experimental data at 300 K (solid spheres with error bars, Ref. 28).

Image of FIG. 3.
FIG. 3.

(Color online). Hugoniot acoustic velocity of Mo. Solid lines: present work for bcc Mo; Dashed lines: present work for fcc Mo; dotted lines: previous theoretical work for bcc Mo (Ref. 8); open triangles: SW experiment (Ref. 8); solid spheres: extrapolated from DAC experiments (Ref. 28).


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Ab initio study of acoustic velocities in molybdenum under high pressure and high temperature