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.
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) , .
Calculated dc conductivity of shocked carbon dioxide along the Hugoniot.
Optical reflectivity of shocked carbon dioxide for wavelengths of 404 (black line), 808 (red line), and 1064 nm (blue line) along the Hugoniot.
Hugoniot pressure and temperature points derived from QMD simulations at a series of molar volumes.
Article metrics loading...
Full text loading...