Direct MD simulation of liquid-solid phase equilibria for two-component plasmas

Details Direct MD simulation of liquid-solid phase equilibria for two-component plasmas Direct MD simulation of liquid-solid phase equilibria for two-component plasmas

2011-08-15

arxiv.org/abs/1108.3101v1

Astronomy and Astrophysics

Astrophysics

Solar and Stellar Astrophysics

10 pages, 14 figures, submitted to Phys. Rev. E

Scientific paper

We determine the liquid-solid phase diagram for carbon-oxygen plasma mixtures using two-phase MD simulations. We identified liquid, solid, and interface regions using a bond angle metric. To study finite size effects, we perform 55296 ion simulations and compare to earlier 27648 ion results. To help monitor non-equilibrium effects, we calculate diffusion constants $D_i$. We find that $D_O$ for oxygen ions in the solid is much smaller than $D_C$ for carbon ions and that both diffusion constants are 80 or more times smaller than diffusion constants in the liquid phase. There is excellent agreement between our phase diagram and that predicted by Medin and Cumming. This suggests that errors from finite size and non-equilibrium effects are small and that the carbon-oxygen phase diagram is now accurately known.

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