Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Ethane-xenon mixtures under shock conditions

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
 [1];  [1];  [1];  [1];  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
+ Show Author Affiliations
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.
Research Organization:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE; 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, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 13 Vol. 91; ISSN 1098-0121
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (45)

Application of refractive index mixing rules in binary systems of hexadecane and heptadecane withn-alkanols at different temperatures journal April 2003
Measurements of the orthobaric liquid densities of methane, ethane, propane, isobutane, and normal butane journal February 1977
Thermodynamics of Liquid Mixtures of Xenon with Alkanes:  (Xenon + Ethane) and (Xenon + Propane)
  • Filipe, Eduardo J. M.; Gomes de Azevedo, Edmundo J. S.; Martins, Luís F. G.
  • The Journal of Physical Chemistry B, Vol. 104, Issue 6 https://doi.org/10.1021/jp9923973
journal February 2000
Fuel gain exceeding unity in an inertially confined fusion implosion journal February 2014
Pressure-induced bonding and compound formation in xenon–hydrogen solids journal November 2009
Atypical compounds of gases, which have been called ‘noble’ journal January 2007
Density and surface tension of liquid xenon and theory of corresponding states for the inert gases journal January 1965
Laser interferometer for measuring high velocities of any reflecting surface journal November 1972
Shock Wave Compression of Benzene, Carbon Disulfide, Carbon Tetrachloride, and Liquid Nitrogen journal June 1970
Magnetically accelerated, ultrahigh velocity flyer plates for shock wave experiments journal October 2005
The AM05 density functional applied to solids journal February 2008
Plastic ablator ignition capsule design for the National Ignition Facility journal May 2010
Thermophysical properties for shock compressed polystyrene journal August 2011
Density functional theory (DFT) simulations of polyethylene: Principal hugoniot, specific heats, compression and release isentropes
  • Cochrane, Kyle R.; Desjarlais, Michael; Mattsson, Thomas R.
  • SHOCK COMPRESSION OF CONDENSED MATTER - 2011: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.3686512
conference January 2012
Dielectric constant data and the derived Clausius–Mossotti function for compressed gaseous and liquid ethane journal July 1976
The effect of mix on capsule yields as a function of shell thickness and gas fill journal June 2014
A new approach to foam-lined indirect-drive NIF ignition targets journal April 2012
Estimating the quantum effects from molecular vibrations of water under high pressures and temperatures journal August 2009
Designing meaningful density functional theory calculations in materials science—a primer journal November 2004
Inhomogeneous Electron Gas journal November 1964
Thermal Properties of the Inhomogeneous Electron Gas journal March 1965
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
Ab initiomolecular dynamics for liquid metals journal January 1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Projector augmented-wave method journal December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Density-functional calculations of the liquid deuterium Hugoniot, reshock, and reverberation timing journal August 2003
Principal Hugoniot, reverberating wave, and mechanical reshock measurements of liquid deuterium to 400 GPa using plate impact techniques journal April 2004
Mean-Value Point in the Brillouin Zone journal June 1973
Functional designed to include surface effects in self-consistent density functional theory journal August 2005
First-principles and classical molecular dynamics simulation of shocked polymers journal February 2010
Diffusion and electrical conductivity in water at ultrahigh pressures journal November 2010
Ab initio simulations of hot dense methane during shock experiments journal December 2012
Carbon dioxide shock and reshock equation of state data to 8 Mbar: Experiments and simulations journal June 2013
Adiabatic release measurements in α -quartz between 300 and 1200 GPa: Characterization of α -quartz as a shock standard in the multimegabar regime journal November 2013
Shock Compression of Quartz to 1.6 TPa: Redefining a Pressure Standard journal November 2009
Shock Compression of a Fifth Period Element: Liquid Xenon to 840 GPa journal August 2010
Hot-Spot Mix in Ignition-Scale Inertial Confinement Fusion Targets journal July 2013
Onset of Hydrodynamic Mix in High-Velocity, Highly Compressed Inertial Confinement Fusion Implosions journal August 2013
High-Adiabat High-Foot Inertial Confinement Fusion Implosion Experiments on the National Ignition Facility journal February 2014
Design of a High-Foot High-Adiabat ICF Capsule for the National Ignition Facility journal February 2014
Equation of State Measurements in Liquid Deuterium to 70 GPa journal November 2001
Shock-Wave Exploration of the High-Pressure Phases of Carbon journal December 2008
Least-Squares Fitting of a Straight line journal May 1966

Cited By (1)

Experimental validation of thermodynamic mixture rules at extreme pressures and densities journal January 2018

Similar Records

Shock compression response of poly(4-methyl-1-pentene) plastic to 985 GPa
Journal Article · Fri Nov 27 23:00:00 EST 2015 · Journal of Applied Physics · OSTI ID:22492988
Density-functional calculation of the Hugoniot of shocked liquid nitrogen
Journal Article · Sun Dec 31 23:00:00 EST 2000 · Physical Review B · OSTI ID:40205512
Dynamical and optical properties of warm dense hydrogen
Journal Article · Tue May 01 00:00:00 EDT 2001 · Physical Review B · OSTI ID:40205585

Related Subjects

70 PLASMA PHYSICS AND FUSION TECHNOLOGY