4.8 Article

First principles calculations of shock compressed fluid helium

期刊

PHYSICAL REVIEW LETTERS
卷 97, 期 17, 页码 -

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AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevLett.97.175501

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  1. Division Of Astronomical Sciences
  2. Direct For Mathematical & Physical Scien [0813934] Funding Source: National Science Foundation

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The properties of hot dense helium at megabar pressures are studied with two first principles computer simulation techniques: path integral Monte Carlo simulation and density functional molecular dynamics. The simulations predict that the compressibility of helium is substantially increased by electronic excitations that are present in the hot fluid at thermodynamic equilibrium. A maximum compression ratio of 5.24(4)-fold the initial density was predicted for 360 GPa and 150 000 K. This result distinguishes helium from deuterium, for which simulations predicted a maximum compression ratio of 4.3(1). Hugoniot curves for statically precompressed samples are also discussed.

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