4.7 Article

Transport properties and equation of state for HCNO mixtures in and beyond the warm dense matter regime

Journal

PHYSICAL REVIEW E
Volume 92, Issue 2, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.92.023101

Keywords

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Funding

  1. Advanced Simulation and Computing (ASC) Program
  2. NNSA of the U.S. Department of Energy [DE-AC52-06NA25396]

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We present simulations of a four-component mixture of HCNO with orbital free molecular dynamics (OFMD). These simulations were conducted for 5-200 eV with densities ranging between 0.184 and 36.8 g/cm(3). We extract the equation of state from the simulations and compare to average atom models. We found that we only need to add a cold curve model to find excellent agreement. Additionally, we studied mass transport properties. We present fits to the self-diffusion and shear viscosity that are able to reproduce the transport properties over the parameter range studied. We compare these OFMD results to models based on the Coulomb coupling parameter and one-component plasmas.

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