Ethane-xenon mixtures under shock conditions

Magyar, Rudolph J.; Root, Seth; Mattsson, Thomas; Cochrane, Kyle Robert; Flicker, Dawn G.

doi:10.1103/PhysRevB.91.134109

Title: Ethane-xenon mixtures under shock conditions

Journal Article · Wed Apr 22 00:00:00 EDT 2015 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.91.134109· OSTI ID:1235267

Magyar, Rudolph J. ^[1]; Root, Seth ^[1]; Mattsson, Thomas ^[1]; Cochrane, Kyle Robert ^[1]; Flicker, Dawn G. ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Mixtures of light elements with heavy elements are important in inertial confinement fusion. We explore the physics of molecular scale mixing through a validation study of equation of state (EOS) properties. Density functional theory molecular dynamics (DFT-MD) at elevated temperature and pressure is used to obtain the thermodynamic state properties of pure xenon, ethane, and various compressed mixture compositions along their principal Hugoniots. In order to validate these simulations, we have performed shock compression experiments using the Sandia Z-Machine. A bond tracking analysis correlates the sharp rise in the Hugoniot curve with the completion of dissociation in ethane. Furthermore, the DFT-based simulation results compare well with the experimental data along the principal Hugoniots and are used to provide insight into the dissociation and temperature along the Hugoniots as a function of mixture composition. Interestingly, we find that the compression ratio for complete dissociation is similar for several compositions suggesting a limiting compression for C-C bonded systems.

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Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1235267

Alternate ID(s):: OSTI ID: 1179858

Report Number(s):: SAND-2015-2262J; 579442

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 91, Issue 13; ISSN 1098-0121

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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