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Thermophysical properties of liquid carbon dioxide under shock compressions: Quantum molecular dynamic simulations
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10.1063/1.3491834
/content/aip/journal/jcp/133/13/10.1063/1.3491834
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/13/10.1063/1.3491834

Figures

Image of FIG. 1.
FIG. 1.

The (left panel) and (right panel) Hugoniot curves of shocked carbon dioxide. Inset is the diagram. Here, filled red circles denote the present QMD results, while the dashed and dotted lines denote the intermolecular potential results (Ref. 13) with and without accounting for molecular dissociation, respectively. The experimental data reported in Ref. 12 (open circles) and Ref. 13 (open squares) are also shown for comparison.

Image of FIG. 2.
FIG. 2.

Calculated pair correlation function for C–O (blue line), C–C (black line), and O–O (red line) at four densities of along the Hugoniot. The atomic structure, where carbon and oxygen atoms are denoted by gray and red balls, respectively, and the relative isosurface of charge density (blue regimes) are also provided in the insets. (a) , ; (b) , ; (c) , ; (d) , .

Image of FIG. 3.
FIG. 3.

Calculated dc conductivity of shocked carbon dioxide along the Hugoniot.

Image of FIG. 4.
FIG. 4.

Optical reflectivity of shocked carbon dioxide for wavelengths of 404 (black line), 808 (red line), and 1064 nm (blue line) along the Hugoniot.

Tables

Generic image for table
Table I.

Hugoniot pressure and temperature points derived from QMD simulations at a series of molar volumes.

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/content/aip/journal/jcp/133/13/10.1063/1.3491834
2010-10-06
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Thermophysical properties of liquid carbon dioxide under shock compressions: Quantum molecular dynamic simulations
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/13/10.1063/1.3491834
10.1063/1.3491834
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